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 |