7VTG

Pseudouridine bound structure of Pseudouridine kinase (PUKI) S30A mutant from Escherichia coli strain B

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	2020-08-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97932
Spacegroup name	P 3
Unit cell lengths	185.092, 185.092, 51.747
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.722 - 1.899
R-factor	0.219675766695
Rwork	0.219
R-free	0.26222
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzh
RMSD bond length	0.018
RMSD bond angle	1.662
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	1.970
High resolution limit [Å]	1.890	1.900
Number of reflections	155963	15713
<I/σ(I)>	15.3
Completeness [%]	99.6
Redundancy	5.2
CC(1/2)	0.985	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M magnesium formate, 20%PEG 3350, 5% glycerol