7R3F
Monomeric PqsE mutant E187R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-25 |
| Detector | DECTRIS PILATUS3 R 300K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.535, 60.174, 128.262 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.290 - 1.650 |
| R-factor | 0.2055 |
| Rwork | 0.204 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hio |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.743 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.290 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.660 |
| Rmerge | 0.093 | 0.449 |
| Rpim | 0.038 | 0.316 |
| Number of reflections | 88338 | 8841 |
| <I/σ(I)> | 14.36 | 1.11 |
| Completeness [%] | 99.5 | 95.72 |
| Redundancy | 8.08 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.16 M CaAcetate, 0.08 M NaCacodylate pH 6.5, 14.4% PEG 8000, 20% Glycerol protein conc: 7.5mg/ml cryoprotectant: 10 % (v/v) (2R,3R) -(-)-2,3-Butanediol |
