Data quality metrics extracted from 6exy.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 6EXY at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
FRM II BEAMLINE BIODIFF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
FRM II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BIODIFF
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2015-11-01
Detector
_diffrn_detector.type
BIODIFF
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.67
Software
Data reduction #1
_software.classification
HKL-2000
Data reduction #2
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHENIX (1.13_2998)
Refinement #1
_software.classification
PHENIX (1.13_2998)
Refinement #2
_software.classification
PHENIX (1.13_2998)
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}
37.314 58.352 63.867 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000002.67000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 43.100 1.710 1.120
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 1.650 1.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.068 0.499 1.259
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.020 - 0.543
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 54414 - 1544
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.20 1.60 1.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.0 90.0 91.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 12.3 2.6 7.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 - 0.726

Refinement
PDB entry ID
_entry.id
6EXY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-11-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.2 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1502 / 0.1873
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS
Starting model
_refine.pdbx_starting_model
3ZSJ