Data quality metrics extracted from 5xaa.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 5XAA 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
SPRING-8 BEAMLINE BL41XU
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL41XU
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2005-07-13
Detector
_diffrn_detector.type
RIGAKU RAXIS V
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.80
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
CNS
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
120.9 87.7 140.2 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.80000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
140.200
High resolution limit [Å]
_reflns.d_resolution_high
3.200
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
25292
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
39.83
Completeness [%]
_reflns.percent_possible_obs
100.0
Multiplicity
_reflns.pdbx_redundancy
1.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5XAA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-03-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
91.6 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2270 / 0.2600
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1WPE