Data quality metrics extracted from 1oxw.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 1OXW at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
113
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1999-08-25
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791, 0.9792, 1.019, 0.9419
Software
Data collection
_software.classification
MAR345
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
SOLVE (& AMoRE)
Phasing #2
_software.classification
AMoRE
Refinement
_software.classification
X-PLOR (98.1)
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}
97.18 171.42 129.88 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.979201.019000.94190 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.280
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.086 0.273
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 51877 5450
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 36.20 7.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.7 80.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 14.3 3.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1OXW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-04-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2200 / 0.2720
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD