4IME
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.140, 147.710, 111.980 |
| Unit cell angles | 90.00, 98.51, 90.00 |
Refinement procedure
| Resolution | 39.260 - 1.750 |
| R-factor | 0.1771 |
| Rwork | 0.175 |
| R-free | 0.20830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.671 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.073 | 0.028 | 0.459 |
| Number of reflections | 287971 | 3285 | 20895 |
| <I/σ(I)> | 13.56 | 35.56 | 3 |
| Completeness [%] | 99.0 | 97.6 | 97.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 25% isopropanol, 0.1 M phosphate-citrate, pH 4.5, 1% PEG200, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
