3LK6
Beta-N-hexosaminidase N318D mutant (YBBD_N318D) from bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-07-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.315, 99.149, 139.861 |
| Unit cell angles | 90.11, 90.05, 89.94 |
Refinement procedure
| Resolution | 48.988 - 2.880 |
| R-factor | 0.1728 |
| Rwork | 0.171 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bmx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.961 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.988 | 3.050 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Number of reflections | 64490 | |
| <I/σ(I)> | 10.08 | 2.74 |
| Completeness [%] | 94.0 | 85.4 |
| Redundancy | 1.88 | 1.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.1 M sodium acetate, pH 4.9 and varying concentrations of polyethylene glycol 1000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
