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 |