6T5M
Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in complex with Mg(II)-pyruvate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.490, 59.400, 147.650 |
| Unit cell angles | 90.00, 120.30, 90.00 |
Refinement procedure
| Resolution | 42.493 - 1.760 |
| R-factor | 0.2118 |
| Rwork | 0.211 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t4v |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.811 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.740 | 63.740 | 1.810 |
| High resolution limit [Å] | 1.760 | 7.870 | 1.760 |
| Rmerge | 0.095 | 0.066 | 0.788 |
| Rmeas | 0.118 | 0.083 | 1.003 |
| Rpim | 0.069 | 0.050 | 0.611 |
| Total number of observations | 234810 | ||
| Number of reflections | 97480 | 1003 | 7437 |
| <I/σ(I)> | 8.5 | 1.1 | |
| Completeness [%] | 85.7 | 73.9 | 88.6 |
| Redundancy | 2.4 | 2.3 | 2.1 |
| CC(1/2) | 0.983 | 0.965 | 0.454 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | PrpB 13-15 mg/ml with 5 mM DTT 0.1 M TRIS 8.5 pH (Buffer) 20-30 %w/v PEG4K (Precipitant) 0.1-0.25 M LiSO4 (Salt) |
