7LBV
Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en
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 | 43.978, 46.650, 49.659 |
| Unit cell angles | 116.93, 99.10, 91.73 |
Refinement procedure
| Resolution | 43.440 - 1.700 |
| R-factor | 0.1532 |
| Rwork | 0.152 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eur |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.047 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.240 |
| Number of reflections | 33635 | 1000 |
| <I/σ(I)> | 20.17 | 4.43 |
| Completeness [%] | 93.2 | 88.2 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 291 | 18% (w/v) polyethylene glycol monomethylether 2000, 100 mM HEPES, pH 6.8 |
