Data quality metrics extracted from 4x8b.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 4X8B 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
SLS BEAMLINE X06DA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-02-14
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.2.17)
Phasing
_software.classification
SHELXDE
Model building #1
_software.classification
ARP
Model building #2
_software.classification
Coot
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
134.780 134.780 141.204 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.066001.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.750 48.750 1.730
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 9.310 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.118 0.028 1.578
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.023 0.006 0.306
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 3781286 24060 191591
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 142371 1022 6966
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 24.60 87.10 2.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.4 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 26.6 23.5 27.5
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 1.000 0.785

Refinement
PDB entry ID
_entry.id
4X8B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-12-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.7 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1377 / 0.1569
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD