Data quality metrics extracted from 3odt.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 3ODT 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-02-01
Detector
_diffrn_detector.type
NOIR-1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97864,0.97880, 0.96411
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
d*TREK
Data scaling
_software.classification
d*TREK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine: 1.6.4_486)
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}
33.656 87.996 92.265 90.00 96.73 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978640.978800.96411 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.330 1.400
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.350 1.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.254
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 107515 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.10 3.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 92.0 67.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 2.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3ODT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.9 - 1.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1364 / 0.1760
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD