4GAX
Crystal Structure of an alpha-Bisabolol synthase mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.655, 77.068, 68.291 |
| Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
| Resolution | 42.793 - 1.995 |
| R-factor | 0.1777 |
| Rwork | 0.175 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.033 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.995 | 4.310 | 1.995 |
| Rmerge | 0.082 | 0.046 | 0.408 |
| Number of reflections | 36270 | ||
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 99.7 | 97.9 | 99.6 |
| Redundancy | 3.7 | 3.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 277 | 0.1 M Hepes, 29% PEG3000, pH 7.8, vapor diffusion, temperature 277K |
