2VGV
Crystal structure of E53QbsSHMT obtained in the presence of L-allo- Threonine
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 | 61.127, 106.205, 57.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.370 - 2.300 |
| R-factor | 0.191 |
| Rwork | 0.186 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kl1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.360 |
| Number of reflections | 16978 | |
| <I/σ(I)> | 15.9 | 4.7 |
| Completeness [%] | 99.1 | 98.8 |
| Redundancy | 5.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 50% MPD, 0.1 M HEPES, PH 7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM L-ALLO-THREONINE |
