4AHO
Crystal Structure of N-acetylneuraminic acid lyase from Staphylococcus aureus with the chemical modification thia-lysine at position 165
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 | 2011-10-06 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.315, 109.719, 131.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.430 - 2.000 |
| R-factor | 0.19773 |
| Rwork | 0.196 |
| R-free | 0.23534 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.477 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.430 | 2.110 |
| High resolution limit [Å] | 2.000 | 1.950 |
| Rmerge | 0.060 | 0.440 |
| Number of reflections | 80641 | |
| <I/σ(I)> | 14.6 | 3.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 200MM NACL, 100MM TRIS HCL PH 7.4 28% PEG 3350 |
