8JBO
Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-12 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.791, 164.399, 179.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.000 |
| R-factor | 0.1569 |
| Rwork | 0.155 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.491 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.114 | 0.447 |
| Number of reflections | 109281 | 5192 |
| <I/σ(I)> | 26.7 | 5.2 |
| Completeness [%] | 98.8 | 94.5 |
| Redundancy | 6.4 | 5.8 |
| CC(1/2) | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.2 M AMMONIUM SULFATE, 23% PEG 3000, 0.1 M MES, PH 5.5 |
