Data quality metrics extracted from 5jby.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 5JBY 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-09-28
Detector
_diffrn_detector.type
DECTRIS PILATUS 200K
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Refinement
_software.classification
PHENIX (1.10.1_2155: ???)
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}
51.758 51.749 54.977 90.02 118.15 119.95
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
22.571
High resolution limit [Å]
_reflns.d_resolution_high
1.987
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
22678
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
6.84
Completeness [%]
_reflns.percent_possible_obs
79.6
Multiplicity
_reflns.pdbx_redundancy
1.7
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5JBY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-04-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
22.6 - 1.987 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2371 / 0.3076