6H4E
Proteus mirabilis N-acetylneuraminate lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-17 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.777, 81.984, 106.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.757 - 1.561 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nal |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.820 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.760 | 1.650 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.149 | 0.664 |
| Rmeas | 0.162 | 0.720 |
| Number of reflections | 100351 | |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.5 M ammonium sulfate, 1 M lithium sulfate monohydrate, 0.1 M sodium citrate tribasic dehydrate, pH 5.6 |
