5XC0
Crystal structure of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-04-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.229, 67.390, 177.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.960 - 2.320 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f8q |
RMSD bond length | 0.012 |
RMSD bond angle | 1.398 |
Data reduction software | SCALA |
Data scaling software | SCALA (0.5.27) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.960 | 2.400 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.140 | 0.452 |
Rmeas | 0.155 | 0.499 |
Rpim | 0.065 | 0.207 |
Total number of observations | 145366 | |
Number of reflections | 27367 | |
<I/σ(I)> | 9.2 | |
Completeness [%] | 97.7 | 93 |
Redundancy | 5.3 | 5.5 |
CC(1/2) | 0.989 | 0.775 |
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 |