Data quality metrics extracted from 8w4w.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 8W4W at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
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
298
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2018-04-27
Detector
_diffrn_detector.type
iBIX
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.9-5.6
Software
Data reduction
_software.classification
STARGazer
Phasing
_software.classification
PHENIX (1.19.2_4158)
Refinement
_software.classification
PHENIX (1.19.2_4158)
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}
55.58 68.04 90.06 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000002.900005.60000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.940 1.380
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.360 1.860 1.360
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.066 0.677 0.286
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 70839 2700 3095
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 32.20 - -
Completeness [%] 
_reflns.percent_possible_obs
 95.6 - -
Multiplicity 
_reflns.pdbx_redundancy
 10.5 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
8W4W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-08-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
21.5 - 1.860 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2090 / 0.2320
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given