Data quality metrics extracted from 9q32.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 9Q32 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 22-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-ID
Temperature [K]
_diffrn.ambient_temp
93
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-04-13
Detector
_diffrn_detector.type
RAYONIX MX300-HS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.20.1_4487: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
44.814 139.385 94.074 90.00 94.72 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.000 35.000 2.530
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.490 6.740 2.490
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.146 0.057 0.670
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.168 0.066 0.824
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.081 0.032 0.474
Total number of observations 
_reflns.pdbx_number_measured_all
 162133 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 40127 2059 1880
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 7.40 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 99.8 95.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.0 4.1 2.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.996 0.437

Refinement
PDB entry ID
_entry.id
9Q32
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2025-08-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.9 - 2.490 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1876 / 0.2330
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given