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 |
