Data quality metrics extracted from 2a6q.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 2A6Q 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
SPRING-8 BEAMLINE BL41XU
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL41XU
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-11-21
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98020, 0.98000, 0.97020, 0.98430
Software
Data reduction #1
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data reduction #2
_software.classification
HKL-2000
Data scaling #1
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling #2
_software.classification
CCP4 (TRUNCATE)
Phasing #1
_software.classification
MLPHARE (Z.Otwinowski or E.Dodson; ccp4@dl.ac.uk, ccp4@yorvic.york.ac.uk)
Phasing #2
_software.classification
DM (4.2; K. Cowtan; ccp4@dl.ac.uk)
Refinement
_software.classification
CNS (1.1; 1998; Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 64
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.485 88.485 135.150 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.980200.980000.970200.98430 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.280 2.090
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.030 2.020
  Rmerge - -
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 10499
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 38636 3278
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 27.86 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 84.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.2 7.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2A6Q
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-07-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.2 - 2.050 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2240 / 0.2540
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD