3B96
Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5419 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.616, 107.879, 149.776 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.690 - 1.910 |
R-factor | 0.162 |
Rwork | 0.159 |
R-free | 0.21600 |
Structure solution method | MIRAS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.353 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.05) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.910 | 4.110 | 1.910 |
Rmerge | 0.079 | 0.042 | 0.532 |
Number of reflections | 46776 | ||
<I/σ(I)> | 15.2 | ||
Completeness [%] | 98.8 | 99.7 | 98.4 |
Redundancy | 7.6 | 8.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 17.6% PEG 2000, 0.047 M MgCl2, 5% glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 17.6% PEG 2000, 0.047 M MgCl2, 5% glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 17.6% PEG 2000, 0.047 M MgCl2, 5% glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 298K |