Data quality metrics extracted from 5c05.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 5C05 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
PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PETRA III, EMBL c/o DESY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
P13 (MX1)
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2013-10-01
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97731
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Model building
_software.classification
Coot (0.82pre)
Refinement
_software.classification
PHENIX (1.9_1692)
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}
50.20 79.61 93.32 94.79 103.31 105.56
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541800.97731 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.840 29.840 1.750
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 10.000 1.650
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.103 0.046 0.651
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.115 0.051 0.757
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 745728 3358 88882
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 154186 703 23289
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.19 21.30 1.96
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.7 98.3 89.2
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5C05
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-06-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.8 - 1.650 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1636 / 0.1863
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2ONG