Data quality metrics extracted from 3k5t.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 3K5T 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-03-01
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.957
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA (3.2.25; 21/9/2006; Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
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}
94.771 96.954 178.060 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541800.95700 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 178.060 89.100 2.210
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.106 6.640 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.111 0.104 0.299
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 31372 19558
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 45200 1650 6562
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 15.70 5.50 2.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.2 100.0 96.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.4 19.0 3.0
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3K5T
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-10-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
89.1 - 2.110 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2360 / 0.2900
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 2c10