Data quality metrics extracted from 5ve6.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 5VE6 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-02-17
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9537, 0.9796
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
Auto-Rickshaw
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
144.683 144.683 47.445 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.953700.97960 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.753 3.130
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.950 2.950
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 20160 3203
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 3.85 -
Completeness [%] 
_reflns.percent_possible_obs
 98.0 -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.5 8.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.893

Refinement
PDB entry ID
_entry.id
5VE6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-04-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.8 - 2.953 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2183 / 0.2624
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD