Data quality metrics extracted from 6eay.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 6EAY 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 22-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-11-27
Detector
_diffrn_detector.type
RAYONIX MX300-HS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14_3228: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
153.429 153.429 335.862 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 76.710 4.070
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.720 3.720
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.181 0.589
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.054 0.176
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 14037 1402
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.90 3.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 87.2 88.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.8 9.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.993 0.859

Refinement
PDB entry ID
_entry.id
6EAY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-08-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.1 - 3.720 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2586 / 0.2966
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5JQ3, 3Q6G