2R3S | pdb_00002r3s

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.2M Sodium chloride, 1.0M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystal Properties
Matthews coefficient	Solvent content
2.69	54.22

Symmetry
Space Group	P 41 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARMOSAIC 325 mm CCD	Flat mirror (vertical focusing)	2007-07-25	M	MAD

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SSRL BEAMLINE BL11-1	0.91837, 0.97901, 0.97925	SSRL	BL11-1

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	2.15	29.696	99.6	0.075	14.35	7.25		44737			34.18

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)
1	2.15	2.23	98.5		0.596	2.25

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Factor (Observed)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MAD	THROUGHOUT	2.15	29.696	44659	2245	99.81	0.19	0.19	0.188	0.19	0.228	0.23	RANDOM	29.828

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]
0.7			0.7		-1.4

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.654
r_dihedral_angle_4_deg	17.323
r_dihedral_angle_3_deg	14.86
r_scangle_it	6.237
r_dihedral_angle_1_deg	6.218
r_scbond_it	4.693
r_mcangle_it	2.826
r_mcbond_it	1.8
r_angle_refined_deg	1.348
r_angle_other_deg	0.972

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	4976
Nucleic Acid Atoms
Solvent Atoms	308
Heterogen Atoms	42

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.654
r_dihedral_angle_4_deg	17.323
r_dihedral_angle_3_deg	14.86
r_scangle_it	6.237
r_dihedral_angle_1_deg	6.218
r_scbond_it	4.693
r_mcangle_it	2.826
r_mcbond_it	1.8
r_angle_refined_deg	1.348
r_angle_other_deg	0.972
r_mcbond_other	0.537
r_symmetry_vdw_refined	0.257
r_symmetry_vdw_other	0.236
r_nbd_refined	0.207
r_symmetry_hbond_refined	0.205
r_nbd_other	0.189
r_nbtor_refined	0.179
r_xyhbond_nbd_refined	0.176
r_nbtor_other	0.087
r_chiral_restr	0.079
r_bond_refined_d	0.014
r_gen_planes_refined	0.005
r_bond_other_d	0.001
r_gen_planes_other	0.001

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left:-5px; } 2R3S | pdb_00002r3s