5A8G
Crystal structure of the wild-type Staphylococcus aureus N- acetylneurminic acid lyase in complex with fluoropyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.587, 150.396, 140.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.200 - 1.720 |
| R-factor | 0.18259 |
| Rwork | 0.181 |
| R-free | 0.21144 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ahp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.641 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.890 | 1.800 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 70045 | |
| <I/σ(I)> | 14.1 | 3.4 |
| Completeness [%] | 99.0 | 91 |
| Redundancy | 8.5 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200MM NACL, 100MM TRIS/HCL PH 7.0-8.5, 18-28% PEG 3350 |
