4J0I
Tannin acyl hydrolase in complex with 3,4-dihydroxybenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.578, 62.852, 83.853 |
| Unit cell angles | 70.35, 86.05, 79.48 |
Refinement procedure
| Resolution | 19.741 - 1.750 |
| R-factor | 0.1563 |
| Rwork | 0.155 |
| R-free | 0.18750 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.081 |
| 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] | 1.840 | |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.088 | 0.530 |
| Number of reflections | 328191 | |
| <I/σ(I)> | 10.7 | 2.5 |
| Completeness [%] | 96.8 | 96.2 |
| Redundancy | 3.8 | 3.9 |
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 |
