2VI9
Crystal structure of S172AbsSHMT Glycine 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 | 61.075, 105.953, 56.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.010 - 2.000 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.24500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1kl1 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.986 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.500 |
Number of reflections | 25285 | |
<I/σ(I)> | 13.3 | 2.8 |
Completeness [%] | 98.8 | 98.8 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 50% MPD, 0.1 M HEPES PH7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM GLY |