5M45
Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92821 |
| Spacegroup name | P 1 |
| Unit cell lengths | 86.915, 139.733, 165.827 |
| Unit cell angles | 65.89, 86.54, 88.69 |
Refinement procedure
| Resolution | 126.060 - 1.870 |
| R-factor | 0.19291 |
| Rwork | 0.192 |
| R-free | 0.21694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5svc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.588 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 126.060 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.114 | 0.887 |
| Number of reflections | 1990913 | |
| <I/σ(I)> | 7 | 1.2 |
| Completeness [%] | 97.8 | 96.8 |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.984 | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 300 mM Calcium acetate, 30% (w/v) PEG3350 |
