3X3H
Crystal Structure of the Manihot esculenta Hydroxynitrile Lyase (MeHNL) 3KP (K176P, K199P, K224P) triple mutant
Replaces: 3RKTExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-11 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.040, 84.210, 134.900 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 15.260 - 2.880 |
| R-factor | 0.20597 |
| Rwork | 0.204 |
| R-free | 0.23785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dwp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.506 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.000 |
| High resolution limit [Å] | 2.880 | 2.900 |
| Number of reflections | 41899 | |
| Completeness [%] | 98.3 | 97.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25%(v/v) PEG 3350, 0.1M Tris/HCl (pH 8.5), 0.2M Ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
