2WNN
Structure of wild type E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.693, 142.456, 83.626 |
| Unit cell angles | 90.00, 109.16, 90.00 |
Refinement procedure
| Resolution | 79.070 - 1.650 |
| R-factor | 0.21183 |
| Rwork | 0.210 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wkj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.404 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0097) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.060 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.320 |
| Number of reflections | 131694 | |
| <I/σ(I)> | 13.5 | 3.2 |
| Completeness [%] | 91.2 | 60.8 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100 MM TRIS-HCL PH 8.2, 200 MM NACL, 18 % PEG 3350 |
