6VSH
Crystal structure of apo Dicamba Monooxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-15 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 |
Unit cell lengths | 80.170, 80.170, 159.346 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.260 - 3.000 |
R-factor | 0.1979 |
Rwork | 0.193 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gte |
RMSD bond length | 0.010 |
RMSD bond angle | 1.278 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | CNX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 45738 | 4598 |
<I/σ(I)> | 25.8 | 6.69 |
Completeness [%] | 99.6 | 100 |
Redundancy | 8.1 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 10-20 mg/mL protein in 25 mM Tris-HCl, pH 8.0, 10 mM sodium chloride, 0.1 mM EDTA, trace PMSF + 1:1 reservoir solution (15-20% w/v PEG6000, 100 mM sodium citrate, pH 6.0) in 2-6 uL droplet |