7W93
Crystal structure of E.coli pseudouridine kinase PsuK complexed with N1-methyl-pseudouridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 185.830, 185.830, 52.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.190 - 1.900 |
R-factor | 0.1972 |
Rwork | 0.196 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7vkp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.098 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.146 | 1.462 |
Rmeas | 0.148 | 1.498 |
Rpim | 0.026 | 0.301 |
Number of reflections | 41758 | 5922 |
<I/σ(I)> | 15.8 | |
Completeness [%] | 98.5 | 97.1 |
Redundancy | 28.2 | 21.6 |
CC(1/2) | 0.998 | 0.651 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.02 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 22% w/v Poly(acrylic acid sodium salt) 5100 |