Data quality metrics extracted from 9ehn.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 9EHN 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
APS BEAMLINE 21-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-D
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2022-09-24
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.729405
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.20.1_4487)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
16.47 21.72 23.65 103.64 109.38 108.91
Wavelength
_diffrn_radiation_wavelength.wavelength
0.688790.72940 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 18.970 1.015
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 0.980 0.980
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 15329 1463
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.29 -
Completeness [%] 
_reflns.percent_possible_obs
 98.8 -
Multiplicity 
_reflns.pdbx_redundancy
 6.3 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.991 0.939

Refinement
PDB entry ID
_entry.id
9EHN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2024-11-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.0 - 0.980 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1649 / 0.1839
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