2XFW
Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in crystal form III
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 | 2008-08-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.110, 116.530, 83.740 |
| Unit cell angles | 90.00, 117.95, 90.00 |
Refinement procedure
| Resolution | 73.980 - 1.650 |
| R-factor | 0.15772 |
| Rwork | 0.156 |
| R-free | 0.18164 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wnn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.272 |
| 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] | 37.030 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 158593 | |
| <I/σ(I)> | 10.9 | 2.8 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS-HCL PH 8.2, 200MM NACL, 18% PEG3350 |
