3U9S
Crystal structure of P. aeruginosa 3-methylcrotonyl-CoA carboxylase (MCC) 750 kD holoenzyme, CoA complex
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 | 2011-04-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.510, 255.340, 152.670 |
| Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
| Resolution | 48.900 - 3.500 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.800 |
| 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 | 3.630 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.120 | 0.451 |
| Number of reflections | 104480 | |
| <I/σ(I)> | 8.2537 | 1.736 |
| Completeness [%] | 92.3 | 75.3 |
| Redundancy | 3.1 | 2.4 |
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 |
