2HOX
alliinase from allium sativum (garlic)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.665, 126.892, 102.664 |
| Unit cell angles | 90.00, 97.30, 90.00 |
Refinement procedure
| Resolution | 46.100 - 1.400 |
| R-factor | 0.16914 |
| Rwork | 0.167 |
| R-free | 0.20452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lk9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.728 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0013) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.049 | 0.598 |
| Number of reflections | 327315 | |
| <I/σ(I)> | 40.4 | 2.1 |
| Completeness [%] | 95.7 | 78.1 |
| Redundancy | 3.08 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | PEG 4000, AMMONIUM ACETATE, TRI- SODIUM CITRATE, PH 5.6, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
