Data quality metrics extracted from 1tf8.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 1TF8 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
NSLS BEAMLINE X26C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X26C
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-09-25
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.100
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
CNS
Refinement #1
_software.classification
SHELXL-97
Refinement #2
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
61.339 61.339 144.964 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.100001.10000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.320
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 1.300
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.091 0.216
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 62291 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.60 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.4 60.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 10.0 10.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1TF8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-05-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1281 / 0.1742
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS