7C1Y

Pseudouridine and ADP bound structure of Pseudouridine kinase (PUKI) from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	79.328, 48.857, 91.788
Unit cell angles	90.00, 107.52, 90.00

Refinement procedure

Resolution	30.620 - 2.083
R-factor	0.192776411402
Rwork	0.190
R-free	0.23505
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.234
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.080	2.100
Number of reflections	39942	1069
<I/σ(I)>	13.1
Completeness [%]	99.6
Redundancy	3.6
CC(1/2)	0.984	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1M tri sodium citrate, 22%PEG 3350