5HIF
Crystal structure of a reconstructed lactonase ancestor, Anc1-MPH, of the bacterial methyl parathion hydrolase, MPH.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Xenocs GeniX 3D Cu HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-12-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.600, 88.150, 119.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.600 - 1.600 |
| R-factor | 0.17553 |
| Rwork | 0.174 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p9e.ent |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.959 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.600 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.072 | 0.352 |
| Number of reflections | 78672 | |
| <I/σ(I)> | 14.9 | 4.9 |
| Completeness [%] | 96.4 | 90.4 |
| Redundancy | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Magnesium acetate terahydrate 20% PEG 3350 10mM Tris/HCl 50mM NaCl 0.1mM ZnCl2 |
