7W2X
Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum
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 | 2020-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 176.755, 54.254, 83.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 1.800 |
R-factor | 0.1487 |
Rwork | 0.147 |
R-free | 0.18120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bvu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.499 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.111 | 0.772 |
Number of reflections | 74104 | 6456 |
<I/σ(I)> | 17.3 | 2 |
Completeness [%] | 98.4 | 86.9 |
Redundancy | 7.1 | 5.7 |
CC(1/2) | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.2 M AMMONIUM SULFATE, 22% PEG 3000, 0.1 M MES, PH 5.5 |