9MFP | pdb_00009mfp

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	8SZQ

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15 M Ammonium sulfate, 0.1 M TRIS pH 8, 15% w/v PEG 4000

Crystal Properties
Matthews coefficient	Solvent content
2.86	57.05

Symmetry
Space Group	P 43 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	PIXEL	DECTRIS EIGER X 9M		2023-06-02	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SSRF BEAMLINE BL02U1	0.97918	SSRF	BL02U1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (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	2.27	48.52	99.97	0.123	0.999	18.5	25.5		59824

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	CC (Half)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.27	2.329	99.91		1.616	0.766	2.4	27.4

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 (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	2.27	48.52	59824	3088	99.97	0.19712	0.19465	0.1988	0.24593	0.2472	RANDOM	53.724

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]
0.04			0.04		-0.08

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	31.905
r_dihedral_angle_4_deg	17.301
r_dihedral_angle_3_deg	14.482
r_long_range_B_refined	8.761
r_long_range_B_other	8.755
r_scangle_other	6.64
r_dihedral_angle_1_deg	6.554
r_mcangle_other	5.661
r_mcangle_it	5.66
r_scbond_it	4.313

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	31.905
r_dihedral_angle_4_deg	17.301
r_dihedral_angle_3_deg	14.482
r_long_range_B_refined	8.761
r_long_range_B_other	8.755
r_scangle_other	6.64
r_dihedral_angle_1_deg	6.554
r_mcangle_other	5.661
r_mcangle_it	5.66
r_scbond_it	4.313
r_scbond_other	4.312
r_mcbond_it	3.839
r_mcbond_other	3.832
r_angle_refined_deg	1.405
r_angle_other_deg	1.206
r_chiral_restr	0.063
r_bond_refined_d	0.006
r_gen_planes_refined	0.006
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