Data quality metrics extracted from 9sxc.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 9SXC 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
PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PETRA III, EMBL c/o DESY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
P13 (MX1)
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-08-24
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97950
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
CRANK2
Refinement
_software.classification
PHENIX (1.20.1-4487)
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}
68.53 93.38 133.67 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978570.97950 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.850 3.400 2.486
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 3.300 2.400
  Rmerge - - -
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.142 2.020 1.411
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 41606 2217 5384
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 23.42 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.9 28.3 7.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.892 0.665

Refinement
PDB entry ID
_entry.id
9SXC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2025-10-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.9 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2244 / 0.2675
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD