4J0K
Tannin acyl hydrolase in complex with ethyl gallate
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) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.099, 62.734, 83.192 |
| Unit cell angles | 70.20, 87.10, 79.19 |
Refinement procedure
| Resolution | 19.892 - 2.050 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.23970 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.934 |
| 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] | 2.160 | |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.107 | 0.396 |
| Number of reflections | 52480 | |
| <I/σ(I)> | 8.1 | 2.5 |
| Completeness [%] | 97.0 | 96 |
| Redundancy | 2.9 | 2.9 |
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 |
