2W7G
Crystal structure of Y51FbsSHMT L-allo-Threonine extrnal 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 | 60.930, 106.280, 57.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.400 - 1.920 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kl1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.354 |
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 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.090 | 0.480 |
Number of reflections | 28280 | |
<I/σ(I)> | 13.6 | 3.2 |
Completeness [%] | 98.0 | 99.5 |
Redundancy | 32 |
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 |