7W2X
Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum
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 | 176.755, 54.254, 83.035 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.800 |
| R-factor | 0.1487 |
| Rwork | 0.147 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.499 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.111 | 0.772 |
| Number of reflections | 74104 | 6456 |
| <I/σ(I)> | 17.3 | 2 |
| Completeness [%] | 98.4 | 86.9 |
| Redundancy | 7.1 | 5.7 |
| CC(1/2) | 0.692 |
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 |
