6GK9
Inhibited structure of IMPDH from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.980110 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.640, 196.958, 123.628 |
| Unit cell angles | 90.00, 113.99, 90.00 |
Refinement procedure
| Resolution | 48.990 - 2.540 |
| R-factor | 0.1616 |
| Rwork | 0.159 |
| R-free | 0.20540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dqw |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.990 | 48.990 | 2.680 |
| High resolution limit [Å] | 2.540 | 8.030 | 2.540 |
| Rmerge | 0.089 | 0.508 | |
| Rmeas | 0.153 | 0.113 | 0.629 |
| Rpim | 0.069 | 0.053 | 0.279 |
| Total number of observations | 778371 | ||
| Number of reflections | 165995 | 5351 | 24240 |
| <I/σ(I)> | 7.6 | 5.1 | 1.4 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 4.7 | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Protein concentration: 7.8 mg.mL-1 lithium chloride 500 mM, ammonium sulphate 50 mM, PEG8000 8% |
