Data quality metrics extracted from 4tu0.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 4TU0 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
ESRF BEAMLINE ID23-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-1
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-11-13
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.86
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.5.0044)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.371 87.371 84.662 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.86000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
75.670 2.420
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
2.300 2.300
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
32115 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
0.00 -
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
100.0 100.0
Multiplicity
_reflns.pdbx_redundancy
1.0 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4TU0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-06-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
75.7 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1740 / 0.2300
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3GPG