2VIB
Crystal structure of S172AbsSHMT obtained in the presence of L-allo- Thr
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 | 61.240, 106.330, 57.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.430 - 1.850 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kl1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.131 |
| 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 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.410 |
| Number of reflections | 31269 | |
| <I/σ(I)> | 12.9 | 2.3 |
| Completeness [%] | 95.7 | 98.4 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 50% MPD 0.1 M HEPES 7.5 0.2 MM EDTA 5 MM 2-MERCAPTOETHANOL 10 MM L-ALLO-THR |
