5HNN
Crystal structure of the endo-beta-1,4-glucanase (Xac0030) from Xanthomonas axonopodis pv. citri with the triple mutation His174Trp, Tyr211Ala and Lys227Arg.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.554, 76.870, 128.942 |
| Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
| Resolution | 41.470 - 1.630 |
| R-factor | 0.1488 |
| Rwork | 0.146 |
| R-free | 0.19760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w7u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.330 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.480 | 1.730 | |
| High resolution limit [Å] | 1.630 | 4.850 | 1.630 |
| Rmerge | 0.044 | 0.026 | 0.307 |
| Number of reflections | 110097 | ||
| <I/σ(I)> | 15.05 | 37.81 | 2.31 |
| Completeness [%] | 93.8 | 96.9 | 83.6 |
| Redundancy | 2.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000 0.2 M sodium chloride 0.1 M Tris |
