3S9V
abietadiene synthase from Abies grandis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.840, 189.085, 99.895 |
| Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| Rwork | 0.197 |
| R-free | 0.25090 |
| Structure solution method | SAD, MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.092 | 0.048 | 0.360 |
| Number of reflections | 148465 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 97.7 | 92 | 96.6 |
| Redundancy | 3.2 | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 277 | 25% PEG 8000, 0.1 M sodium citrate, 0.1 M ammonium dibasic phosphate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
