2VI8
Crystal structure of S172AbsSHMT internal 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 | 61.033, 106.520, 56.986 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.310 - 1.670 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kkj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.104 |
| 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 | 0.050 | 0.280 |
| Number of reflections | 42463 | |
| <I/σ(I)> | 25.8 | 4 |
| Completeness [%] | 95.5 | 84.2 |
| Redundancy | 5.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 50% MPD, 0.1M HEPES PH 7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL |
