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 |