6R5N
The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979310 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.942, 86.882, 244.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.990 - 2.000 |
| R-factor | 0.16594 |
| Rwork | 0.164 |
| R-free | 0.19606 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tf0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.497 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.880 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.110 | 0.580 |
| Number of reflections | 109537 | 5282 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 97.2 | |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 50 mM Bis Tris, pH 6.5, 30% pentaerythritol ethoxylate and 50 mM ammonium sulfate |
