9QB4 | pdb_00009qb4

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	5CZ4	Yeast 20S proteasome at 2.3 A resolution

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	20 mM MgAC2, 13% MPD, 0.1 M MES

Crystal Properties
Matthews coefficient	Solvent content
3.7	66.76

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	PIXEL	DECTRIS EIGER X 16M		2015-10-24	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X06SA	1.0	SLS	X06SA

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	2.7	30	98.3	0.063	13.3	3.2		285103

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	2.7	2.8	98.2		0.564	2	3.1

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	2.7	15	269275	14173	97.81	0.1749	0.17271	0.1724	0.20651	0.2108	RANDOM	66.684

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]
0.91		-0.94	-2.33		1.63

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	31.796
r_dihedral_angle_3_deg	14.301
r_dihedral_angle_4_deg	13.746
r_long_range_B_refined	6.391
r_long_range_B_other	6.379
r_dihedral_angle_1_deg	6.062
r_mcangle_it	4.872
r_mcangle_other	4.872
r_scangle_other	4.698
r_mcbond_it	3.391

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	31.796
r_dihedral_angle_3_deg	14.301
r_dihedral_angle_4_deg	13.746
r_long_range_B_refined	6.391
r_long_range_B_other	6.379
r_dihedral_angle_1_deg	6.062
r_mcangle_it	4.872
r_mcangle_other	4.872
r_scangle_other	4.698
r_mcbond_it	3.391
r_mcbond_other	3.391
r_scbond_it	3.303
r_scbond_other	3.303
r_angle_refined_deg	1.169
r_angle_other_deg	1.16
r_rigid_bond_restr	0.498
r_chiral_restr	0.038
r_gen_planes_refined	0.003
r_bond_refined_d	0.002
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_sphericity_free
r_sphericity_bonded