Data quality metrics extracted from 3toc.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 3TOC 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
PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NW12A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-07-02
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97910, 0.97927, 0.96404
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine: 1.6.3_473)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
59.482 163.362 149.971 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.979270.96404 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.200
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 36996
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 98.7
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3TOC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-09-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.2 - 2.201 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2153 / 0.2584
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD