5G1W
Apo Structure of Linalool Dehydratase-Isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Collection date | 2015-04-19 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 108.062, 110.148, 195.338 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.760 |
| R-factor | 0.15178 |
| Rwork | 0.150 |
| R-free | 0.17620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SEMET STRUCTURE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.820 |
| 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] | 47.970 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.080 | 0.670 |
| Number of reflections | 218882 | |
| <I/σ(I)> | 10.6 | 1.7 |
| Completeness [%] | 97.0 | 95.9 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M BIS-TRIS PROPANE BUFFER PH 6.5 WITH 25% (W/V) PEG 3350, 10% (W/V) METHYLPENTANE DIOL AND 0.1 M SODIUM MALONATE |
