Data quality metrics extracted from 3qtf.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 3QTF 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 FR-E+ SUPERBRIGHT
Temperature [K]
_diffrn.ambient_temp
93
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-06-27
Detector
_diffrn_detector.type
RIGAKU SATURN 92
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data collection
_software.classification
StructureStudio
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (phenix.refine)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
67.264 90.718 98.379 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
22.700
High resolution limit [Å]
_reflns.d_resolution_high
1.570
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
32785
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
77.5
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3QTF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-02-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
22.7 - 1.570 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1873 / 0.2042
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given