4J0G
Tannin acyl hydrolase (mercury derivative)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.357, 62.686, 83.122 |
| Unit cell angles | 70.49, 86.93, 79.10 |
Refinement procedure
| Resolution | 19.768 - 2.500 |
| R-factor | 0.1914 |
| Rwork | 0.189 |
| R-free | 0.23200 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.382 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.640 | |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.233 | |
| Number of reflections | 25246 | |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 97.3 | 97.6 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 281 | 0.1M tri-sodium citrate pH 5.5, 20% PEG 3000, VAPOR DIFFUSION, SITTING DROP, temperature 281K |
