4PE8
Crystal structure of TatD in complex with trinucleotide DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.450, 52.871, 101.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.419 - 2.894 |
R-factor | 0.1993 |
Rwork | 0.195 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xwy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.718 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.000 |
High resolution limit [Å] | 2.894 | 6.230 | 2.894 |
Rmerge | 0.117 | 0.039 | 0.428 |
Total number of observations | 30630 | ||
Number of reflections | 5539 | ||
<I/σ(I)> | 7.8 | ||
Completeness [%] | 99.4 | 98.6 | 99.6 |
Redundancy | 5.5 | 5.3 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 4% Tacsimate pH 4 and 12% PEG3350 |