Data quality metrics extracted from 1xok.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 1XOK 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 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-08-10
Detector
_diffrn_detector.type
CUSTOM-MADE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.91942
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.1.19)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
50.1 123.0 53.6 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.919420.919970.92181 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 99.000 3.190
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.000 3.000
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.085 0.405
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 3487 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 25.00 4.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 98.1
Multiplicity 
_reflns.pdbx_redundancy
 11.9 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1XOK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-10-06
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2490 / 0.2689
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD