Data quality metrics extracted from 9fwj.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 9FWJ 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
MAX IV BEAMLINE BioMAX
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MAX IV
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BioMAX
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2022-06-03
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97625
Software
Data processing
_software.classification
autoPROC
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
DIMPLE
Refinement
_software.classification
BUSTER (2.10.4)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
61.193 70.522 108.654 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97625 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 59.154 59.154 2.466
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.424 6.577 2.424
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.143 0.052 1.316
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.148 0.055 1.366
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.040 0.015 0.364
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 246416 12387 12413
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 18402 1016 898
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.55 35.49 2.34
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.6 99.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.4 12.2 13.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.998 0.798
Anomalous completeness 
_reflns.pdbx_percent_possible_anomalous _reflns_shell.pdbx_percent_possible_anomalous
 99.9 100.0 99.6
Anomalous multiplicity 
_reflns.pdbx_redundancy_anomalous _reflns_shell.pdbx_redundancy_anomalous
 7.2 7.3 7.3
CC(ano) 
_reflns.pdbx_CC_half_anomalous _reflns_shell.pdbx_CC_half_anomalous
 -0.062 0.214 0.032
|DANO|/σ(DANO) 
_reflns.pdbx_absDiff_over_sigma_anomalous _reflns_shell.pdbx_absDiff_over_sigma_anomalous
 0.826 1.179 0.777

Refinement
PDB entry ID
_entry.id
9FWJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2024-06-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
59.1 - 2.424 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2130 / 0.2542
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS