3R5C
Pseudomonas aeruginosa DapD (PA3666) in complex with CoA and succinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-05 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9334 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 123.282, 123.282, 198.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.130 - 2.400 |
| R-factor | 0.22671 |
| Rwork | 0.225 |
| R-free | 0.26748 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | polyAla model of 2RIJ.pdb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.425 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.113 | 0.654 |
| Number of reflections | 60616 | |
| <I/σ(I)> | 17.1 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 19-20% of PEG3350, 0.3-0.4M succinate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
