4IMD
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164
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 | 2008-01-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.825, 114.057, 82.030 |
| Unit cell angles | 90.00, 111.74, 90.00 |
Refinement procedure
| Resolution | 35.680 - 2.100 |
| R-factor | 0.18146 |
| Rwork | 0.179 |
| R-free | 0.21847 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.919 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.154 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.084 | 0.325 |
| Number of reflections | 79123 | |
| <I/σ(I)> | 14 | 3.4 |
| Completeness [%] | 98.3 | 91.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 21% PEG1000, 0.15 M sodium chloride, 0.1 M sodium potassium phosphate, soaked in 0.05 M pyruvate for 24 hours, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
