Data quality metrics extracted from 3td7.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 3TD7 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2011-05-29
Detector
_diffrn_detector.type
Pilatus 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9766
Software
Data collection
_software.classification
EDNA
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
PHENIX
Model building
_software.classification
PHENIX
Refinement
_software.classification
CNS (1.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
91.306 91.306 200.790 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97660 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.000 2.330
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.210 2.210
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.100 0.743
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 25063 3431
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 18.90 4.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.8 93.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 19.3 19.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3TD7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-08-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.0 - 2.210 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2270 / 0.2530
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD