Data quality metrics extracted from 4ygu.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 4YGU 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
SSRL BEAMLINE BL12-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-07-29
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792,0.9794,0.9116
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
XDS (January 10, 2014 BUILT=20140307)
Data scaling #2
_software.classification
XSCALE
Phasing #1
_software.classification
SHARP
Phasing #2
_software.classification
SHELXD
Refinement
_software.classification
BUSTER (2.10.0)
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}
55.318 101.555 137.313 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979200.979400.91160 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.579 48.579 2.280
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 4.720 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.147 0.053 1.172
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.157 0.057 1.250
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 322328 32147 32659
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 40038 4296 3990
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.93 26.80 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.1 99.6
Multiplicity 
_reflns.pdbx_redundancy
 8.1 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4YGU
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-02-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.6 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2087 / 0.2402
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD