Data quality metrics extracted from 8e1w.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 8E1W 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
ORNL Spallation Neutron Source BEAMLINE MANDI
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL Spallation Neutron Source
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MANDI
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2020-08-08
Detector
_diffrn_detector.type
ORNL ANGER CAMERA
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
3.0-5.0
Software
Data reduction
_software.classification
Mantid
Data scaling
_software.classification
LAUENORM
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.19.2_4158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
126.469 126.469 126.469 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.540003.000005.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.670 2.900
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.800
  Rmerge - -
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.185 -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.057 0.480
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 20749 2019
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.16 -
Completeness [%] 
_reflns.percent_possible_obs
 99.9 -
Multiplicity 
_reflns.pdbx_redundancy
 10.3 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.988 0.746

Refinement
PDB entry ID
_entry.id
8E1W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
14.8 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2251 / 0.2598
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5N04