7KHM
Crystal structure of hDHHS20 bound to palmitoyl CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.529, 114.610, 83.596 |
| Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
| Resolution | 67.530 - 2.880 |
| R-factor | 0.2964 |
| Rwork | 0.294 |
| R-free | 0.32450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bmm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.496 |
| Data reduction software | XDS (20180808) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.82) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 83.580 | 83.580 | 3.040 |
| High resolution limit [Å] | 2.880 | 9.110 | 2.880 |
| Rmerge | 0.163 | 0.047 | 3.329 |
| Rmeas | 0.176 | 0.052 | 3.595 |
| Rpim | 0.067 | 0.020 | 1.347 |
| Total number of observations | 158295 | 5045 | 23524 |
| Number of reflections | 22858 | 749 | 3330 |
| <I/σ(I)> | 7.6 | 34.9 | 0.6 |
| Completeness [%] | 99.7 | 99.5 | 99.6 |
| Redundancy | 6.9 | 6.7 | 7.1 |
| CC(1/2) | 0.999 | 0.999 | 0.436 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 50mM MES, pH 6.5, 50mM NaH2PO4, 30.3% PEG 300, 50mM DTT, 2.5% 2,5-hexanediol |
