4AH7
Structure of Wild Type Stapylococcus aureus N-acetylneuraminic acid lyase in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.290, 109.860, 131.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.930 - 2.300 |
| R-factor | 0.2077 |
| Rwork | 0.205 |
| R-free | 0.25923 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.616 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.910 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.360 |
| Number of reflections | 53415 | |
| <I/σ(I)> | 11.4 | 3.7 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 3.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM NACL, 100 MM TRIS HCL PH 7.4, 28% PEG 3350 |
