5SVC
Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.760, 265.159, 122.170 |
| Unit cell angles | 90.00, 92.33, 90.00 |
Refinement procedure
| Resolution | 38.899 - 2.700 |
| R-factor | 0.2042 |
| Rwork | 0.202 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.827 |
| Number of reflections | 247620 | |
| <I/σ(I)> | 10.2 | 1.8 |
| Completeness [%] | 93.0 | 93.4 |
| Redundancy | 4.7 | 4.6 |
| CC(1/2) | 0.993 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 12-18%PEG 3350 and 0.2M MgSO4, pH and cryo was the addition of 15% glycerol |
