4RHH
Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.450, 119.080, 243.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.430 - 2.150 |
R-factor | 0.15267 |
Rwork | 0.150 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c1o |
RMSD bond length | 0.017 |
RMSD bond angle | 1.821 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.430 | 2.206 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.107 | |
Number of reflections | 151718 | |
Completeness [%] | 98.5 | 85.2 |
Redundancy | 8.2 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 3000, 0.2M Calcium acetate, 0.1M Tris buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |