Experiment: 7ZG3

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP		294	0.12M Monosaccharides, 0.1M Buffer System 2 (pH 7.5), 30.0% (v/v) GOL_P4K (Morpheus screen, Molecular Dimensions)

Crystal Properties
Matthews coefficient	Solvent content
2.6	52.64

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	PIXEL	DECTRIS PILATUS 6M		2019-07-06	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	DIAMOND BEAMLINE I24	0.987	Diamond	I24

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	CC (Half)	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	2.3	84.9	100	0.99	0.9	24.2		50573

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	CC (Half)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.3	2.38			0.54

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	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	MOLECULAR REPLACEMENT	THROUGHOUT	6g3y	2.3	84.95	47864	2577	99.88	0.27747	0.27587	0.28	0.30717	0.3	RANDOM	66.957

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]
-0.88			-0.38		1.26

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	30.628
r_dihedral_angle_3_deg	12.533
r_dihedral_angle_4_deg	12.482
r_dihedral_angle_1_deg	4.714
r_long_range_B_refined	3.413
r_long_range_B_other	3.399
r_mcangle_it	1.856
r_mcangle_other	1.856
r_scangle_other	1.169
r_mcbond_it	1.012

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	30.628
r_dihedral_angle_3_deg	12.533
r_dihedral_angle_4_deg	12.482
r_dihedral_angle_1_deg	4.714
r_long_range_B_refined	3.413
r_long_range_B_other	3.399
r_mcangle_it	1.856
r_mcangle_other	1.856
r_scangle_other	1.169
r_mcbond_it	1.012
r_mcbond_other	1.012
r_angle_refined_deg	0.945
r_angle_other_deg	0.837
r_scbond_it	0.602
r_scbond_other	0.602
r_chiral_restr	0.049
r_bond_refined_d	0.007
r_gen_planes_refined	0.003
r_bond_other_d	0.001
r_gen_planes_other	0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	7166
Nucleic Acid Atoms
Solvent Atoms	154
Heterogen Atoms	55

7ZG3 | pdb_00007zg3