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 |