4PYS
The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97913 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.820, 96.820, 315.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.032 - 1.822 |
| R-factor | 0.1657 |
| Rwork | 0.165 |
| R-free | 0.18950 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.094 | 0.634 |
| Number of reflections | 134406 | |
| <I/σ(I)> | 32 | 2.6 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2M Magnesium chloride, 0.1M HEPES:NaOH, 15%(v/v) PEG 400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
