5UTR
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-butyryl-4,5,6-trihydroxyazepane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.660, 87.820, 66.970 |
| Unit cell angles | 90.00, 91.92, 90.00 |
Refinement procedure
| Resolution | 66.930 - 2.150 |
| Rwork | 0.139 |
| R-free | 0.18990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g6c |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.621 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2236)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.930 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.091 | 0.264 |
| Number of reflections | 30692 | 2532 |
| <I/σ(I)> | 9.7 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.993 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30-32% PEG8000, 0.1M MES pH 6.2-6.8 |
