Data quality metrics extracted from 7a8n.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 7A8N 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
SOLEIL BEAMLINE PROXIMA 2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-06-28
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9801
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.32)
Phasing
_software.classification
PHENIX (1.11)
Refinement
_software.classification
PHENIX (1.11)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
140.728 140.728 73.246 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98010 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.845 46.840 2.160
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 8.910 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.057 0.026 0.713
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.058 0.026 0.731
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.013 0.007 0.162
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 16005 239 1307
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 33.10 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 99.3 97.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 20.3 17.1 20.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 1.000 0.964

Refinement
PDB entry ID
_entry.id
7A8N
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-08-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.8 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2084 / 0.2575