7DKX
Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellobiose
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 | 2018-08-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 177.556, 54.424, 83.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.780 - 1.700 |
| R-factor | 0.1543 |
| Rwork | 0.153 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.355 |
| 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] | 89.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 89598 | 8544 |
| <I/σ(I)> | 28.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.24 M AMMONIUM SULFATE, 20% PEG 3350, 0.1 M MES, PH 5.5 |
