Data quality metrics extracted from 3tu3.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 3TU3 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 21-ID-F
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-F
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-14
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97872
Software
Data collection #1
_software.classification
Blu-Ice (Max)
Data collection #2
_software.classification
SBC-Collect
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing #1
_software.classification
SHELXD
Phasing #2
_software.classification
BUCCANEER
Model building
_software.classification
BUCCANEER
Refinement
_software.classification
REFMAC (5.5.0102)
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}
154.140 52.583 119.539 90.00 126.59 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.068990.977210.97872 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.950
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.920 1.920
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.520
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 59644 3000
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.87 2.65
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.7 3.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3TU3
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-09-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.2 - 1.920 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1912 / 0.2246
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR