Data quality metrics extracted from 3a5t.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 3A5T 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 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
2006-12-14
Detector
_diffrn_detector.type
ADSC QUANTUM 4r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97939, 0.97898, 0.96416
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHELXDE
Refinement
_software.classification
CNS (1.2)
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}
40.364 185.243 230.263 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979390.978980.96416 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.080 2.900
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.800 2.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.072 0.192
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns.pdbx_number_measured_all
 284413 -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 22101 2016
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 56.77 11.91
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.9 92.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.0 10.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3A5T
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.1 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2610 / 0.2940
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD