3BPT
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.096, 76.642, 55.789 |
| Unit cell angles | 90.00, 108.24, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.500 |
| R-factor | 0.14909 |
| Rwork | 0.147 |
| R-free | 0.19678 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.594 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.050 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.073 | 0.377 |
| Number of reflections | 44613 | |
| <I/σ(I)> | 17 | 1.5 |
| Completeness [%] | 83.3 | 31.8 |
| Redundancy | 6.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MATRIX SEEDING | 5.5 | 293 | 0.1M Citrate pH 5.5, 20% PEG 3350, 5mM Quercetin added to the protein, MATRIX SEEDING, temperature 293K |
