Data quality metrics extracted from 8w48.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 8W48 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
293
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2022-05-13
Detector
_diffrn_detector.type
iBIX
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.8-5.7
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
43.670 85.014 65.353 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980002.800005.70000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 42.510 1.970 1.230
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.190 1.900 1.190
  Rmerge - - -
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.040 0.646 0.876
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.016 0.315 0.352
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 78555 1845 7638
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 23.80 2.70 2.30
Completeness [%] 
_reflns.percent_possible_obs
 99.8 - -
Multiplicity 
_reflns.pdbx_redundancy
 6.3 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.556 0.774

Refinement
PDB entry ID
_entry.id
8W48
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-08-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
21.8 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1783 / 0.2064
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