Data quality metrics extracted from 3hr2.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 3HR2 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
FIBER DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 18-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
18-ID
Temperature [K]
_diffrn.ambient_temp
298.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1998-11-15
Detector
_diffrn_detector.type
FUJI
Software
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
39.97 26.95 677.90 89.24 94.59 105.58
Wavelength
_diffrn_radiation_wavelength.wavelength
1.03000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
112.600 112.600
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
5.160 5.160
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
424 -
  <I/σ(I)> - -
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
97.0 97.0
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3HR2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-06-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
112.6 - 5.160 Å
R
_refine.ls_R_factor_obs
0.0420
Rwork
_refine.ls_R_factor_R_work
0.0420
WARNING: no Rfree given?
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR