2VIA
Crystal structure of S172AbsSHMT L-Serine external aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.986, 106.283, 57.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.420 - 1.670 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.20900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kl1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.141 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.060 | 0.260 |
| Number of reflections | 40694 | |
| <I/σ(I)> | 20.8 | 5.4 |
| Completeness [%] | 91.6 | 79.2 |
| Redundancy | 8.9 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 50% MPD, 0.1 M HEPES PH7.5, 0.2MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM L-SER |
