Data quality metrics extracted from 5b5i.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 5B5I 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
PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-5A
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-04-25
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792
Software
Data reduction
_software.classification
SCALEPACK
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.10.1_2155: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
38.679 55.793 55.793 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
50.000 1.630
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
1.600 1.600
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
16354 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
38.72 -
Completeness [%]
_reflns.percent_possible_obs
99.9 -
Multiplicity
_reflns.pdbx_redundancy
14.1 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
5B5I
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-05-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
7.9 - 1.599 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1894 / 0.2057