4P5U
Crystal structure of TatD
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 | 2010-12-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.165, 52.697, 98.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.395 - 2.000 |
| R-factor | 0.2071 |
| Rwork | 0.203 |
| R-free | 0.24160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xwy |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.975 |
| Data scaling software | HKL-2000 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.078 | 0.031 | 0.353 |
| Total number of observations | 90131 | ||
| Number of reflections | 15670 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 98.8 | 99.3 | 100 |
| Redundancy | 5.8 | 5.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium citrate dibasic, 20% PEG3350 |
