Data quality metrics extracted from 7wno.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 7WNO at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
SPALLATION SOURCE
Source details
_diffrn_source.type
J-PARC MLF BEAMLINE BL-03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
JPARC MLF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2015-11-10
Detector
_diffrn_detector.type
iBIX
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
3.0-5.7
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.19.2_4158: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
157.548 61.779 92.232 90.00 112.13 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
3.000005.70000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.940 1.780
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.720 1.720
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 76306 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 4.99 -
Completeness [%] 
_reflns.percent_possible_obs
 87.4 -
Multiplicity 
_reflns.pdbx_redundancy
 2.7 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
7WNO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-01-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.9 - 1.720 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1630 / 0.2570
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR