5FAV
E491Q 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 | 2014-11-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| 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 - 1.600 |
| R-factor | 0.1516 |
| Rwork | 0.151 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fau |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.121 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 272954 | |
| <I/σ(I)> | 13.4 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | Protein at 8 mg/mL in buffer containing 50 mM potassium phosphate pH 8.0, 50 mM potassium chloride, and 10 mM choline was mixed in a 1:1 ratio with well solution containing 1.0-1.2 M sodium malonate pH 7.0-8.0. |
