Data quality metrics extracted from 5c78.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 5C78 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 X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2013-12-16
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
96.60 114.42 145.59 68.44 73.27 68.67
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 30.000 2.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.900 12.590 2.890
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.106 0.053 1.188
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.117 0.059 1.309
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 1176105 15668 24150
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 206754 2743 4310
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.90 26.72 1.31
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 87.2 94.9 23.0
Multiplicity 
_reflns.pdbx_redundancy
 12.0 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5C78
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-06-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
27.9 - 2.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2315 / 0.2671
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR