6TFN
Linalool Dehydratase Isomerase in complex with Myrcene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.775, 110.440, 236.485 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 49.970 - 2.180 |
| R-factor | 0.1901 |
| Rwork | 0.189 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.428 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.970 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.100 | 0.680 |
| Rpim | 0.090 | 0.580 |
| Number of reflections | 228868 | 11471 |
| <I/σ(I)> | 7.3 | 1.7 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 4 | 4.2 |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.02 M phosphate buffer; 0.1 M bis-tris propane pH 6.5; 20% PEG 3350 |
