3M01
The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 125.500, 125.500, 122.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.370 - 2.600 |
| Rwork | 0.206 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eat |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.370 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.113 | 0.570 |
| Number of reflections | 30796 | 3120 |
| <I/σ(I)> | 17.25 | 4.2 |
| Completeness [%] | 99.0 | 95.8 |
| Redundancy | 7.3 | 8.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 15% PEG 8000, 200 mM magnesium acetate, 100 mM MOPSO, pH 7.0, vapor diffusion, hanging drop, temperature 277K |
