Experiment: 1ZGZ

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 2000 MME, Ammonium Sulfate, Sodium Acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
1.7	28.8

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 55.471	α = 90
b = 58.389	β = 112.25
c = 64.086	γ = 90

Symmetry
Space Group	P 1 21 1

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 4		2003-06-13	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	NSLS BEAMLINE X4A	0.97888	NSLS	X4A

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (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	1.8	20	97.7	0.084	20.9	7	35665	34815		-3	17.1

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.8	1.86	80.4		0.367	3.3	4.7	2834

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (All)	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	SAD	THROUGHOUT	1.8	20	35708	30446	3310	95.72	0.19723	0.19219	0.2437	RANDOM	22.472

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]
-0.46		-0.77	0.17		-0.3

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	5.783
r_scangle_it	2.407
r_mcangle_it	2.14
r_scbond_it	1.471
r_mcbond_it	1.234
r_angle_refined_deg	1.224
r_symmetry_vdw_refined	0.258
r_nbd_refined	0.224
r_symmetry_hbond_refined	0.216
r_xyhbond_nbd_refined	0.186

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	5.783
r_scangle_it	2.407
r_mcangle_it	2.14
r_scbond_it	1.471
r_mcbond_it	1.234
r_angle_refined_deg	1.224
r_symmetry_vdw_refined	0.258
r_nbd_refined	0.224
r_symmetry_hbond_refined	0.216
r_xyhbond_nbd_refined	0.186
r_chiral_restr	0.082
r_bond_refined_d	0.01
r_gen_planes_refined	0.004

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	3747
Nucleic Acid Atoms
Solvent Atoms	210
Heterogen Atoms	16

Software

Software
Software Name	Purpose
REFMAC	refinement
DENZO	data reduction
SCALEPACK	data scaling
CNS	phasing

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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 R01GM133198.