3WUG
The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) with xylobiose from Streptomyces sp. 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 80.798, 80.798, 288.589 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.880 |
Rwork | 0.200 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cui |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.077 | 0.477 |
Number of reflections | 46576 | |
<I/σ(I)> | 32 | 4.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.7 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.5M zinc acetate dehydrate, 0.1M sodium cacodylate trihydrate pH 6.5, 8% (w/v) , VAPOR DIFFUSION, SITTING DROP, temperature 298K |