Data quality metrics extracted from 3k10.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 3K10 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
NSLS BEAMLINE X29A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X29A
Temperature [K]
_diffrn.ambient_temp
93.15
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-06-19
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0809
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
SOLVE (2.13; 24-Feb-2008; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.13; 6-Mar-2008; Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.709 52.709 186.552 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.502001.08090 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.380
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 4.950 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.063 0.032 0.421
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 13389 1419 429
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 85.5 99.9 35.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.6 9.7 4.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3K10
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-09-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2460 / 0.3010
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS