Data quality metrics extracted from 2d68.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 2D68 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
MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MPG/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW6
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-07-06
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793,0.9796,0.9500
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.84 92.18 37.11 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.050000.979300.979600.95000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.080 1.700
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 1.600
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 21205 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.0 86.4
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2D68
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-11-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2054 / 0.2472
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD