7DKT
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride
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 | 2016-06-02 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 177.049, 54.689, 83.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.520 - 1.650 |
| R-factor | 0.1616 |
| Rwork | 0.160 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bvu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.344 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 97660 | 4756 |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 7.5 | 7.5 |
| CC(1/2) | 0.985 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.14 M AMMONIUM SULFATE, 21% PEG 3350, 0.1 M MES, PH 5.5 |
