7LBU
Crystal structure of the Propionibacterium acnes surface sialidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.973, 46.847, 49.600 |
| Unit cell angles | 116.51, 98.94, 91.69 |
Refinement procedure
| Resolution | 43.600 - 2.110 |
| R-factor | 0.1759 |
| Rwork | 0.173 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eur |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.913 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.050 | 0.235 |
| Number of reflections | 17676 | 1000 |
| <I/σ(I)> | 18.26 | |
| Completeness [%] | 91.8 | 77.4 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 20% (w/v) polyethylene glycol monomethylether 2000, 100 mM HEPES, pH 7.5 |
