Data quality metrics extracted from 1qo2.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 1QO2 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
EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW7A
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1998-06-15
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97893, 0.97929, 0.98089
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
CNS (0.9)
Phasing #2
_software.classification
SHARP
Phasing #3
_software.classification
SOLVE
Refinement
_software.classification
CNS (0.9)
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}
46.78 73.16 62.70 90.00 97.42 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978930.979290.98089 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 39.841 1.880
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.850 1.850
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.041 0.269
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 34932 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.00 2.53
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 91.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.5 1.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1QO2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1999-11-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
8.0 - 1.850 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1880 / 0.2460
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD