6S87
Crystal structure of 2-methylcitrate synthase (PrpC) from Pseudomonas aeruginosa in complex with oxaloacetate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.640, 86.760, 161.840 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 27.230 - 1.650 |
| R-factor | 0.1978 |
| Rwork | 0.197 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s6f |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.230 | 27.220 | 1.690 |
| High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
| Rmerge | 0.064 | 0.020 | 1.362 |
| Rmeas | 0.073 | 0.023 | 1.557 |
| Rpim | 0.035 | 0.011 | 0.747 |
| Number of reflections | 170245 | 1916 | 12537 |
| <I/σ(I)> | 11.5 | 1.1 | |
| Completeness [%] | 99.8 | 96.5 | 99.9 |
| Redundancy | 4.2 | 4.2 | 4.3 |
| CC(1/2) | 0.999 | 1.000 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 100 mM Bis-Tris pH 5.5, 15-25% PEG3350, 40 mM D-Xylose |
