Data quality metrics extracted from 1tuo.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 1TUO at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SPRING-8 BEAMLINE BL32B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL32B2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-02-29
Detector
_diffrn_detector.type
RIGAKU JUPITER 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97121, 0.97920, 0.98699
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNX
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
106.610 55.048 83.763 90.00 108.76 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.971210.979200.98699 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.036
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 50270
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 19.20
Completeness [%] 
_reflns.percent_possible_obs
 99.0
Multiplicity 
_reflns.pdbx_redundancy
 3.2
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1TUO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-06-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2210 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD