1F12
L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-02-12 |
Detector | APS-1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.040, 88.100, 167.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
Rwork | 0.212 |
R-free | 0.26500 |
RMSD bond length | 0.006 |
RMSD bond angle | 20.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS (0.3) |
Refinement software | CNS (0.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.067 | 0.474 |
Number of reflections | 29550 | |
<I/σ(I)> | 20.4 | |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | Barycki, J.J., (1999) Biochemistry, 38, 5786. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | NAD+ | 5 (mM) | |
3 | 1 | reservoir | N-[2-acetamido]-2-iminodiacetic acid | 50 (mM) | |
4 | 1 | reservoir | PEG4000 | 14-19 (%) |