5EFD
Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
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 | 2012-05-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.82656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.990, 76.600, 176.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.245 - 1.674 |
| R-factor | 0.1591 |
| Rwork | 0.158 |
| R-free | 0.18730 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.621 |
| Data reduction software | SCALA |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.245 | 32.097 | 1.760 |
| High resolution limit [Å] | 1.674 | 5.290 | 1.670 |
| Rmerge | 0.026 | 0.421 | |
| Rmeas | 0.085 | ||
| Rpim | 0.035 | 0.012 | 0.198 |
| Total number of observations | 496202 | 17477 | 66169 |
| Number of reflections | 86625 | ||
| <I/σ(I)> | 14.7 | 27.9 | 4 |
| Completeness [%] | 99.8 | 99.6 | 99.3 |
| Redundancy | 5.7 | 5.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M NaCl, 0.16M MgCl2, 0.05M Tris HCl pH 8.5, 20% PEG 8000 |
