Experiment: 1UCB

X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1CLZ	FV OF 1CLZ WITH CDRS REMOVED 1CLY (HUMAN IGG1, HUMAN KAPPA) AND OF 1CLZ (MOUSE IGG3, MOUSE KAPPA)
experimental model	PDB	1CLY	FV OF 1CLZ WITH CDRS REMOVED 1CLY (HUMAN IGG1, HUMAN KAPPA) AND OF 1CLZ (MOUSE IGG3, MOUSE KAPPA)

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		4.6		0.1 M SODIUM ACETATE (PH 4.6), 0.1 M AMMONIUM SULFATE, 15 % PEG 8000.

Crystal Properties
Matthews coefficient	Solvent content
2.4	49

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 61.1	α = 90
b = 174.3	β = 90
c = 45.6	γ = 90

Symmetry
Space Group	P 21 21 2

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	295	AREA DETECTOR	SIEMENS-NICOLET X100	MIRROR	1993-03-21	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RUH2R

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.5	36	87	0.045	16.1	2		14826

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	2.5	2.8	65		0.107	4	1.5

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	EX POST FACTO	FV OF 1CLZ WITH CDRS REMOVED 1CLY (HUMAN IGG1, HUMAN KAPPA) AND OF 1CLZ (MOUSE IGG3, MOUSE KAPPA)	2.5	8	1	13731		87	0.2	0.2	0.18	0.276	29

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	28
x_angle_deg	1.6
x_improper_angle_d	1.4
x_bond_d	0.009
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	3333
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms	45

Software

Software
Software Name	Purpose
XDS	data scaling
XSCALE	data scaling
BRUTE	model building
MERLOT	phasing
X-PLOR	refinement
XDS	data reduction
BRUTE	phasing

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.