7W2T
Crystal structure of TxGH116 E730Q 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 | 2020-02-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.377, 124.458, 174.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.150 |
| R-factor | 0.1551 |
| Rwork | 0.153 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.577 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.180 | 0.670 |
| Number of reflections | 86926 | 8325 |
| <I/σ(I)> | 11.7 | 2.2 |
| Completeness [%] | 99.3 | |
| Redundancy | 6.3 | |
| CC(1/2) | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.15 M AMMONIUM SULFATE, 22% PEG 3000, 0.1 M MES, PH 5.5 |
