3KB9
Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Detector technology | CCD |
| Collection date | 2008-12-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.185, 47.374, 75.376 |
| Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
| Resolution | 26.575 - 1.598 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.398 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 46113 | |
| <I/σ(I)> | 34.4 | 8.3 |
| Completeness [%] | 97.6 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
