Data quality metrics extracted from 1qu9.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 1QU9 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 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
75
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1998-05-31
Detector
_diffrn_detector.type
BRUKER
Software
Data reduction #1
_software.classification
SMART
Data reduction #2
_software.classification
SAINT
Data scaling #1
_software.classification
SMART
Data scaling #2
_software.classification
SAINT
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
PROFFT
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
72.22 72.22 72.22 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.96100 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.270
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.200 1.200
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 112350 18335
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.8 90.6
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1QU9
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1999-07-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 1.200 Å
Rwork
_refine.ls_R_factor_R_work
0.1640
WARNING: no Rfree given (but Rwork)!?