Data quality metrics extracted from 3ajv.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 3AJV at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-17A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-11-28
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0717
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHELXCD
Model building
_software.classification
SHELXE
Refinement
_software.classification
REFMAC (5.5.0066)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
95.334 95.334 253.819 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.07170 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.730
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.072 0.346
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 90770 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.00 3.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.5 85.1
Multiplicity 
_reflns.pdbx_redundancy
 4.8 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3AJV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-06-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2175 / 0.2289
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS