5FAU
wild-type choline TMA lyase in complex with choline
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 | 2013-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.607, 234.871, 104.994 |
| Unit cell angles | 90.00, 109.62, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.1456 |
| Rwork | 0.145 |
| R-free | 0.16890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r8w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.925 |
| 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 | 0.986 | |
| Number of reflections | 282449 | |
| <I/σ(I)> | 12.5 | 1.55 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 6.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 290 | 20% (v/v) glycerol, 25% (w/v) PEG 8000, 0.5 M lithium chloride, 0.1 M Tris pH 8.0; 10 mM choline was included in cryoprotectant |
