Experiment: 2AAC

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2ARC	PDB ENTRY 2ARC

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		5.5		PROTEIN WAS CRYSTALLIZED BY MICROSEEDING FROM 24% PEG 4000, 100 MM SODIUM CITRATE PH 5.5 200 MM AMMONIUM ACETATE

Crystal Properties
Matthews coefficient	Solvent content
2.23	45

Symmetry
Space Group	P 1 21 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	FUJI	SPHERICAL RH COATED MIRROR	1995-09-03	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	NSLS BEAMLINE X4A		NSLS	X4A

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym 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	1.6	30	99.9	0.08	0.08	9.7	5.2		47363		2	12.31

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	1.6	1.67	99		0.08	0.39	2.5	3.4

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	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	RIGID-BODY REFINEMENT AND DIFFERENCE FOURIER MAPS	THROUGHOUT	PDB ENTRY 2ARC	1.6	7	2	46103	4112	98	0.176	0.176	0.222	RANDOM	12.48

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]
-0.4819		0.3233	1.3664		-0.8845

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	24.8
x_scbond_it	2.98
x_scangle_it	2.97
x_mcbond_it	1.76
x_mcangle_it	1.68
x_angle_deg	1.58
x_improper_angle_d	1.29
x_bond_d	0.01
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	24.8
x_scbond_it	2.98
x_scangle_it	2.97
x_mcbond_it	1.76
x_mcangle_it	1.68
x_angle_deg	1.58
x_improper_angle_d	1.29
x_bond_d	0.01
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d_na
x_improper_angle_d_prot