Data quality metrics extracted from 5wh6.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 5WH6 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
NSLS BEAMLINE X29A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X29A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-04-24
Detector
_diffrn_detector.type
Bruker AXIOM 200
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
AMoRE
Refinement
_software.classification
REFMAC (5.8.0073)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
58.948 80.197 163.670 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 81.000
High resolution limit [Å] 
_reflns.d_resolution_high
 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.068
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 95949
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.50
Completeness [%] 
_reflns.percent_possible_obs
 93.1
Multiplicity 
_reflns.pdbx_redundancy
 12.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5WH6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-07-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2062 / 0.2243