Data quality metrics extracted from 1q8b.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 1Q8B 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 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
2003-06-03
Detector
_diffrn_detector.type
SBC-2
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9795, 0.9797, 0.94656
Software
Data collection
_software.classification
SBC-Collect
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
71.095 71.095 149.210 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979500.979700.94656 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.900 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.127 0.456
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 10996 1104
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 30.54 3.76
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.5 96.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.0 6.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1Q8B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-08-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
31.9 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2070 / 0.2570
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD