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 |