Data quality metrics extracted from 3evs.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 3EVS 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
BESSY BEAMLINE 14.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-03-07
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97962, 0.97979, 0.90789
Software
Data collection
_software.classification
MAR345dtb
Data reduction
_software.classification
CrystalClear
Data scaling #1
_software.classification
d*TREK (9.4SSI; Jan 10 2006; Jim W. Pflugrath; Jim.Pflugrath@Rigaku.com)
Data scaling #2
_software.classification
CrystalClear
Phasing #1
_software.classification
SHARP (Eric de La Fortelle; sharp-develop@globalphasing.com)
Phasing #2
_software.classification
DM (6.0; Kevin Cowtan; kowtan@ysbl.york.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 42 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
76.455 76.455 82.784 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.104850.979620.979790.90789 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 34.190 2.180
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.071 0.354
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_all
 - 14428
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 14815 1455
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 5.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.7 9.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3EVS
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-10-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.2 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2150 / 0.2560
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD