Data quality metrics extracted from 7w3w.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 7W3W 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
PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NE3A
Temperature [K]
_diffrn.ambient_temp
277.15
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-12-21
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data scaling
_software.classification
XDS
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 63 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
90.792 90.792 149.836 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.899991.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.437 1.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.858 1.860
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 58147 25021
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.17 -
Completeness [%] 
_reflns.percent_possible_obs
 99.8 -
Multiplicity 
_reflns.pdbx_redundancy
 7.8 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999

Refinement
PDB entry ID
_entry.id
7W3W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-11-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.4 - 1.858 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1850 / 0.2079
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3WAE