Data quality metrics extracted from 5isx.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 5ISX 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
APS BEAMLINE 21-ID-G
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-G
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-07-07
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97856
Software
Data reduction
_software.classification
XDS (OSX10.9.5_Darwin13.4.0)
Data scaling
_software.classification
SCALA (3.3.22)
Phasing
_software.classification
PHASER (2.5.6)
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
224.812 58.039 90.857 90.00 100.64 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97856 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
38.971
High resolution limit [Å]
_reflns.d_resolution_high
2.335
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
  Total number unique -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
3.38
Completeness [%]
_reflns.percent_possible_obs
99.3
Multiplicity
_reflns.pdbx_redundancy
7.7
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5ISX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-03-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.0 - 2.335 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1866 / 0.2252