Data quality metrics extracted from 1hq7.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 1HQ7 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
OTHER
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X8C
Temperature [K]
_diffrn.ambient_temp
108
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2000-08-21
Detector
_diffrn_detector.type
ADSC QUANTUM 1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
39.638 39.638 98.591 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.072201.54180 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 13.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.064
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 54956
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.90
Completeness [%] 
_reflns.percent_possible_obs
 94.6
Multiplicity 
_reflns.pdbx_redundancy
 9.9
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1HQ7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2000-12-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
13.0 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2370 / 0.2660
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD