5DW6
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and the CoA analogue 3'-phosphoadenosine 5'-(O-(N-propyl-R-pantothenamide))pyrophosphate (MX)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.425, 110.455, 120.003 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.823 - 1.548 |
| R-factor | 0.1577 |
| Rwork | 0.157 |
| R-free | 0.17870 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4eu9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.255 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.548 | 1.548 |
| Number of reflections | 130308 | |
| <I/σ(I)> | 37.4 | 3.32 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 295 | 0.9 M sodium citrate, 0.1 M imidazole, 25 mM 2-mercaptoethanol, 3 mM MX; drops adjusted to 50 mM sodium acetate (pH 8.2 stock) 3 d prior to cryoprotection |
