Data quality metrics extracted from 4eoy.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 4EOY 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
ALS BEAMLINE 5.0.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-02-26
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9774
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHENIX (Phaser)
Model building
_software.classification
PHENIX (Phaser)
Refinement
_software.classification
REFMAC (5.6.0117)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
33.30 111.08 57.09 90.00 92.58 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033200.97740 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 31.060 2.240
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.220 2.180
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.215 0.918
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 17965 1605
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.28 1.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 83.4 45.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.1 2.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4EOY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-04-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.220 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2046 / 0.2797
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
20 models (15 PDB 5 predicted) as ensemble using phenix.automr