5DDK
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.103, 109.775, 120.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.337 - 2.127 |
| R-factor | 0.1473 |
| Rwork | 0.145 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eu9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.859 |
| 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 | 2.170 |
| High resolution limit [Å] | 2.127 | 2.127 |
| Number of reflections | 50048 | |
| <I/σ(I)> | 22.9 | 4.1 |
| Completeness [%] | 99.1 | 98 |
| Redundancy | 13.6 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 0.9 M sodium citrate, 0.1 M imidazole, 25 mM 2-mercaptoethanol, 2 mM coenzyme A |
