4S3J
Crystal structure of the Bacillus cereus spore cortex-lytic enzyme SleL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.330, 62.730, 119.880 |
| Unit cell angles | 92.70, 100.99, 108.39 |
Refinement procedure
| Resolution | 47.811 - 1.600 |
| R-factor | 0.157 |
| Rwork | 0.157 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cz8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.520 |
| Number of reflections | 169576 | |
| <I/σ(I)> | 18.74 | 3.4 |
| Completeness [%] | 92.7 | 78.3 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 0.1 M trisodium citrate buffer, pH 5.5, 20% (w/v) PEG 3,000, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
