Data quality metrics extracted from 6eko.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 6EKO 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
MAX II BEAMLINE I911-3
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MAX II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I911-3
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-12-03
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96112,0.98010
Software
Data reduction
_software.classification
XDS (VERSION Jun 17, 2015 BUILT=20150617)
Data scaling
_software.classification
SCALA (CCP4 6.2: Scala version 3.3.20 : 23/06/11)
Phasing
_software.classification
Auto-Rickshaw
Model building
_software.classification
Coot (0.6.1 Miramar (revision 2740))
Refinement
_software.classification
PHENIX (1.8.3_1479)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.279 91.663 152.742 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.961120.98010 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.960 2.410
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.280 2.280
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.198 -
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.216 -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.058 0.442
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 36181 4683
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.60 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.5 89.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.5 6.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6EKO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-09-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.0 - 2.284 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2051 / 0.2478
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD