5G1U
Linalool Dehydratase Isomerase in complex with Geraniol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Collection date | 2015-10-16 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.800, 106.040, 220.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.920 - 2.570 |
| R-factor | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19787 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SEMET STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.635 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.920 | 2.650 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.150 | 0.670 |
| Number of reflections | 79198 | |
| <I/σ(I)> | 9.4 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.1 M SODIUM TARTRATE AT PH 7.0 WITH 1% (W/V) GLYCEROL |
