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 |
