7W2W
Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum with glucose
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 | 2020-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 177.285, 54.463, 83.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.790 |
| R-factor | 0.1517 |
| Rwork | 0.150 |
| R-free | 0.18550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.527 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.121 | 0.810 |
| Number of reflections | 75984 | 6616 |
| <I/σ(I)> | 16.3 | 1.9 |
| Completeness [%] | 98.5 | 86.7 |
| Redundancy | 7.2 | 5.8 |
| CC(1/2) | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.2 M AMMONIUM SULFATE, 22% PEG 3000, 0.1 M MES, PH 5.5 |
