1GXS
Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.700, 103.700, 90.600 |
| Unit cell angles | 90.00, 101.30, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sc2 |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 25.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.059 * | 0.114 * |
| Total number of observations | 100992 * | |
| Number of reflections | 51747 * | |
| <I/σ(I)> | 8.5 | 5.7 |
| Completeness [%] | 88.7 | 82.9 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.4 | Lauble, H., (1996) Acta Crystallogr., D52, 887. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | benzoic acid | 100 (mM) | |
| 3 | 1 | drop | sodium citrate | 100 (mM) | pH5.4 |
| 4 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.4 |
