Data quality metrics extracted from 3e8k.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 3E8K 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
APS BEAMLINE 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
295
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-04-17
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.83
Software
Data reduction
_software.classification
DENZO
Data scaling #1
_software.classification
SCALA (Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Data scaling #2
_software.classification
SCALEPACK
Phasing
_software.classification
RAVE
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
553.033 574.390 587.358 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.900000.83000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.000 3.740
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.650 3.650
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.184 0.431
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 656590 11086
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 2.50 1.40
Completeness [%] 
_reflns_shell.percent_possible_all
 - 14.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 1.0 1.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3E8K
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-08-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.0 - 3.650 Å
R
_refine.ls_R_factor_obs
0.3650
WARNING: neither Rwork nor Rfree given
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
Prohead II 12A Cryo-EM model and PII 5.2A crystal structure