5XC1
Crystal structure of the complex of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27 with S-1,2-Propanediol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-04-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.000, 75.730, 176.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.010 - 2.260 |
R-factor | 0.1899 |
Rwork | 0.188 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f8q |
RMSD bond length | 0.016 |
RMSD bond angle | 1.602 |
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] | 32.010 | 2.330 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.121 | 0.445 |
Rmeas | 0.131 | 0.485 |
Rpim | 0.049 | 0.190 |
Number of reflections | 35363 | |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.7 | 97.2 |
Redundancy | 6.9 | 6.3 |
CC(1/2) | 0.994 | 0.960 |
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 |