3U9T
Crystal structure of P. aeruginosa 3-methylcrotonyl-CoA carboxylase (MCC) 750 kD holoenzyme, free enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 158.930, 158.930, 311.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.230 - 2.900 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.058 | 0.388 |
| Number of reflections | 31522 | |
| <I/σ(I)> | 16.0215 | 2.369 |
| Completeness [%] | 99.1 | 99.7 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | UNDER OIL | 7 | 293 | 20% PEG3350, 0.2 M sodium malonate, pH 7.0, UNDER OIL, temperature 293K |
