3TKT
Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-03 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 93.979, 93.979, 299.366 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.18935 |
| Rwork | 0.187 |
| R-free | 0.23424 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1CPT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.743 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.083 | 0.401 |
| Number of reflections | 26332 | |
| <I/σ(I)> | 24.3 | 4.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 291 | 0.2M lithium sulfate, 0.1M Tris, 27% PEG 4000, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
