Data quality metrics extracted from 2a65.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 2A65 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
ALS BEAMLINE 8.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-12-12
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793, 0.9795, 0.9641
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.86 86.31 81.02 90.00 95.73 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.995000.979300.979500.96410 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.710
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 1.650
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.082 0.554
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 70306 6195
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 30.50 1.81
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.3 85.9
Multiplicity 
_reflns.pdbx_redundancy
 4.0 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2A65
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-07-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
50.0 - 1.650 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1990 / 0.2170
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD