Data quality metrics extracted from 3c5v.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 3C5V 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
NSLS BEAMLINE X25
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X25
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-03-18
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97945, 0.97910, 0.96410
Software
Data collection
_software.classification
CBASS
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELXS
Refinement
_software.classification
CNS (1.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.512 82.512 90.843 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.100000.979450.979100.96410 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 100.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.000
Rmerge 
_reflns.pdbx_Rsym_value
 0.074
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 25077
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 99.5
Multiplicity 
_reflns.pdbx_redundancy
 4.3
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3C5V
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-02-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1830 / 0.2200
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD