4BWL
Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.970, 143.220, 83.410 |
| Unit cell angles | 90.00, 109.51, 90.00 |
Refinement procedure
| Resolution | 49.460 - 2.000 |
| R-factor | 0.18247 |
| Rwork | 0.180 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wnn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.342 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0097) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.410 |
| Number of reflections | 82202 | |
| <I/σ(I)> | 9.6 | 2.8 |
| Completeness [%] | 98.7 | 95.7 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS-HCL PH 8.2, 200MM NACL, 18% PEG3350 |
