7R9F
Wild-type yeast Pseudouridine Synthase, PUS1, bound to 5-Fluorouracil RNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 134.466, 134.466, 158.130 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.880 - 2.890 |
R-factor | 0.2551 |
Rwork | 0.251 |
R-free | 0.28970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j37 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.533 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.020 | 48.020 | 3.070 |
High resolution limit [Å] | 2.890 | 8.670 | 2.890 |
Rmerge | 0.252 | 0.064 | 4.912 |
Rmeas | 0.256 | 0.065 | 4.974 |
Rpim | 0.041 | 0.011 | 0.777 |
Total number of observations | 746212 | 25161 | 123932 |
Number of reflections | 19540 | 840 | 3094 |
<I/σ(I)> | 14.6 | 54.5 | 1.2 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 38.2 | 30 | 40.1 |
CC(1/2) | 0.999 | 0.999 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 0.2 M Potassium sodium tartrate, 18% PEG 3350 |