7DBI
Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2019-12-07 |
| Detector | SIEMENS-NICOLET |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.921, 93.260, 161.275 |
| Unit cell angles | 90.00, 95.12, 90.00 |
Refinement procedure
| Resolution | 46.630 - 1.990 |
| R-factor | 0.1696 |
| Rwork | 0.168 |
| R-free | 0.19370 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.630 | 46.630 | 2.020 |
| High resolution limit [Å] | 1.990 | 10.890 | 1.990 |
| Rmerge | 0.094 | 0.084 | 0.303 |
| Rmeas | 0.133 | 0.119 | 0.428 |
| Rpim | 0.094 | 0.084 | 0.303 |
| Total number of observations | 256693 | 1560 | 12610 |
| Number of reflections | 130308 | 843 | 6367 |
| <I/σ(I)> | 11.9 | 32.1 | 2.7 |
| Completeness [%] | 99.1 | 98.6 | 97.4 |
| Redundancy | 2 | 1.9 | 2 |
| CC(1/2) | 0.987 | 0.981 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | Imidazole, Calcium acetate, PEG 8000 |
