8VRI
E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-12 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.655, 83.442, 122.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.120 - 1.650 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.266 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.120 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.109 | 1.102 |
| Rmeas | 0.120 | 1.296 |
| Rpim | 0.049 | 0.667 |
| Total number of observations | 525145 | 17256 |
| Number of reflections | 97031 | 4771 |
| <I/σ(I)> | 8.5 | 1 |
| Completeness [%] | 99.8 | |
| Redundancy | 5.4 | 3.6 |
| CC(1/2) | 0.994 | 0.469 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 32% PEG 3350, 0.1M Tris pH 8.0 |
