Data quality metrics extracted from 5cit.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 5CIT 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 X10SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2009-03-04
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9840
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0049)
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}
58.01 59.23 64.77 90.00 96.95 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
19.810 1.800
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
1.750 1.750
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
0.037 0.641
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
42451 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
17.86 2.13
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
96.2 95.8
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
3.3 3.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
5CIT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-07-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.8 - 1.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2163 / 0.2619
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
human Ran GDP