3IO3
GEt3 with ADP from D. Hansenii in Closed form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-13 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 59.851, 87.292, 230.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.500 - 1.800 |
| R-factor | 0.23346 |
| Rwork | 0.233 |
| R-free | 0.24685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h84 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.327 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.155 |
| Number of reflections | 52368 | |
| <I/σ(I)> | 42.9 | 32 |
| Completeness [%] | 91.0 | 65 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | Glycerol 20%, 0.2M Ammonium Phosphate mono base, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
