8VRG
E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.691, 50.675, 40.767 |
| Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
| Resolution | 40.750 - 1.220 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.049 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.750 | 1.240 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.129 | 1.114 |
| Rmeas | 0.141 | 1.252 |
| Rpim | 0.054 | 0.559 |
| Total number of observations | 254727 | 8179 |
| Number of reflections | 42115 | 1756 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 98.8 | |
| Redundancy | 6 | 4.7 |
| CC(1/2) | 0.989 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 36 % PEG 3350, 0.1 M Tris hydrochloride pH 8.0, 0.2 M Sodium acetate trihydrate |
