6THM
Linalool Dehydratase Isomerase M125A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2018-05-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 108.670, 110.689, 196.715 |
| Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
| Resolution | 96.180 - 1.990 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.542 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.330 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.080 | 0.910 |
| Rpim | 0.070 | 0.770 |
| Number of reflections | 156439 | 7677 |
| <I/σ(I)> | 9.1 | 1.6 |
| Completeness [%] | 98.4 | |
| Redundancy | 4.2 | |
| CC(1/2) | 1.000 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M sodium malonate; 0.1 M bis-tris propane pH 7.5; 20% (w/w) PEG3350; 5% (v/v) methylpentanediol |
