Data quality metrics extracted from 4xgc.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 4XGC 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 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2014-06-27
Detector
_diffrn_detector.type
MAR scanner 300 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0332, 1.71083
Software
Data scaling #1
_software.classification
Aimless
Data scaling #2
_software.classification
XDS
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
PHASER
Refinement
_software.classification
PHENIX (phenix.refine: dev_1760)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
145.545 258.983 257.001 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033201.71083 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.800 3.590
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.500 3.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.214 2.181
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 61418 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.70 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.4 8.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4XGC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-12-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.8 - 3.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2243 / 0.2581
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD
Starting model
_refine.pdbx_starting_model
SAD SOLUTION