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 |