Data quality metrics extracted from 6y4l.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 6Y4L 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
DIAMOND BEAMLINE I23
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I23
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-07-03
Detector
_diffrn_detector.type
DECTRIS PILATUS 12M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.755
Software
Data reduction
_software.classification
DIALS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.17.1_3660)
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}
52.577 84.939 122.585 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976302.75500 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.700 2.780 2.270
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.650 2.200
  Rmerge - - -
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 28668 2109 2433
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.60 1.80 1.90
Completeness [%] 
_reflns.percent_possible_obs
 100.0 - -
Multiplicity 
_reflns.pdbx_redundancy
 51.9 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.817 0.926

Refinement
PDB entry ID
_entry.id
6Y4L
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.7 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2031 / 0.2499
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD
Starting model
_refine.pdbx_starting_model
XXXX