2WKJ
Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.329, 108.049, 148.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.330 - 1.450 |
| R-factor | 0.16775 |
| Rwork | 0.167 |
| R-free | 0.18857 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nal |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.346 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.420 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 213226 | |
| <I/σ(I)> | 11.6 | 3.4 |
| Completeness [%] | 96.2 | 89.5 |
| Redundancy | 5.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS HCL, PH 8.2, 200MM AMMONIUM ACETATE, 18% PEG 3350 |
