4AHQ
Crystal Structure of N-acetylneuraminic acid lyase mutant K165C from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-05 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.160, 110.020, 133.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.270 - 1.950 |
| R-factor | 0.19274 |
| Rwork | 0.191 |
| R-free | 0.23809 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.470 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.270 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 86766 | |
| <I/σ(I)> | 14.9 | 3.2 |
| Completeness [%] | 97.8 | 93.4 |
| Redundancy | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 200MM NACL, 100MM TRIS-HCL PH7.4, 28% PEG 3350 |
