8VRH
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Agilent SuperNova |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-08-09 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.022, 83.003, 121.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.430 - 1.800 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.182 |
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] | 24.530 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.089 | 1.103 |
Rmeas | 0.103 | 1.386 |
Rpim | 0.049 | 0.814 |
Total number of observations | 270092 | 10853 |
Number of reflections | 73053 | 4315 |
<I/σ(I)> | 8.5 | 0.7 |
Completeness [%] | 98.1 | |
Redundancy | 3.7 | 2.5 |
CC(1/2) | 0.990 | 0.389 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 30% PEG 3350, 0.2M sodium acetate trihydrate, 0.1M Tris pH 7.0 |