5KDP
E491A mutant of choline TMA-lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 228.922, 228.922, 78.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.471 - 1.900 |
| R-factor | 0.2153 |
| Rwork | 0.214 |
| R-free | 0.24440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5faw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.616 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.776 | |
| Number of reflections | 164734 | |
| <I/σ(I)> | 18.4 | 4.06 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 13.5 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 1.0-1.2 M sodium malonate pH 7.0-8.0 |
