2W7L
Crystal structure of Y61AbsSHMT L-allo-Threonine 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 | 61.470, 105.020, 56.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.100 - 2.410 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kl1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.881 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.430 |
| Number of reflections | 14402 | |
| <I/σ(I)> | 12.2 | 4.2 |
| Completeness [%] | 98.1 | 99.8 |
| Redundancy | 21.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50% MPD, 0.1 M HEPES PH7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM L-ALLO-THREONINE |
