5LKY
X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.490, 134.300, 79.460 |
| Unit cell angles | 90.00, 108.10, 90.00 |
Refinement procedure
| Resolution | 75.530 - 1.700 |
| R-factor | 0.17515 |
| Rwork | 0.174 |
| R-free | 0.20254 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ah7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.371 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.540 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.071 | 0.425 |
| Number of reflections | 120355 | |
| <I/σ(I)> | 11.2 | 3 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 4.7 | 4 |
| CC(1/2) | 0.998 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 3350 (18-28%), 200mM NaCl, 100mM Tric/HCl pH 7.0-8.5 |
