Data quality metrics extracted from 5txf.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 5TXF 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 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-06-24
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.984
Software
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0131)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
95.887 123.532 114.778 90.00 96.19 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979190.98400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.300 3.200
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.100 3.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.176 1.262
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 48188 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.60 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 98.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.1 4.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.990 0.577

Refinement
PDB entry ID
_entry.id
5TXF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-11-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2495 / 0.2665
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
Homology Model based on LPLA2 (4x90) generated by MODELLER