7W2V
Crystal structure of TxGH116 R786A 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 | 2019-10-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 177.444, 54.225, 83.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.1541 |
Rwork | 0.153 |
R-free | 0.18150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bvu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.533 |
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] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.101 | 0.485 |
Number of reflections | 73832 | 6688 |
<I/σ(I)> | 17.4 | 2.1 |
Completeness [%] | 98.3 | |
Redundancy | 5.6 | |
CC(1/2) | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.18 M AMMONIUM SULFATE, 22% PEG 3350, 0.1 M MES, PH 5.5 |