3VC3
Crystal structure of beta-cyanoalanine synthase K95A mutant in soybean
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 71.092, 154.325, 198.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.205 - 1.766 |
R-factor | 0.1703 |
Rwork | 0.170 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.766 | 4.800 | 1.766 |
Rmerge | 0.120 | 0.049 | 0.726 |
Number of reflections | 204348 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 96.4 | 93 | 98.2 |
Redundancy | 4 | 4.2 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 279 | 20% (w/v) PEG-3350, 0.2 M potassium citrate, pH 7.5, vapor diffusion, hanging drop, temperature 279K |