Data quality metrics extracted from 4g6c.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 4G6C 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-E+ SUPERBRIGHT
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL7-1
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-05-25
Detector
_diffrn_detector.type
RIGAKU SATURN 944+
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
PHASER (2.3.0; Sun Jun 26 20:05:17 2011 (svn ); Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
48.83 89.68 67.10 90.00 91.07 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033171.54000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 99.700 6.170 1.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.380 4.360 1.380
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.047 0.022 0.492
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 13369 47521
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 118123 2471 8708
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 22.51 62.64 3.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.9 99.9
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4G6C
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-07-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
99.7 - 1.380 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1550 / 0.1880
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given