2VMS
Crystal structure of Y60AbsSHMT crystallized in the presence of Glycine
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 | 61.134, 106.435, 57.139 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.440 - 2.150 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1kl1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.030 |
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 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.120 | 0.450 |
Number of reflections | 20795 | |
<I/σ(I)> | 8.9 | 2.8 |
Completeness [%] | 97.8 | 99 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 50% MPD, 0.1 M HEPES PH 7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM GLYCINE |