Data quality metrics extracted from 6y4s.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 6Y4S 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
BESSY BEAMLINE 14.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-01-23
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.6.2)
Phasing
_software.classification
REFMAC
Refinement
_software.classification
BUSTER (2.10.3)
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}
113.15 113.15 326.14 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91840 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.450 48.450 2.300
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.230 8.900 2.230
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.436 0.053 6.477
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.452 0.056 6.728
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.116 0.016 1.792
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 596786 8767 48318
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 39789 701 3526
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 6.30 30.70 0.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.0 97.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 15.0 12.5 13.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.994 0.999 0.296

Refinement
PDB entry ID
_entry.id
6Y4S
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 2.230 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2190 / 0.2420
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS
Starting model
_refine.pdbx_starting_model
3bsq