7VSK

Crystal structure of E.coli pseudouridine kinase PsuK complexed with pseudouridine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97853
Spacegroup name	P 63 2 2
Unit cell lengths	182.634, 182.634, 51.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.410 - 2.310
R-factor	0.2303
Rwork	0.228
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vkp
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.137	0.454
Rmeas	0.141	0.483
Rpim	0.029	0.158
Number of reflections	22581	2166
<I/σ(I)>	13.67	3
Completeness [%]	99.5	98.2
Redundancy	17.7	8.3
CC(1/2)	0.995	0.130

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% (w/v) Polyacrylic acid 5100, 0.1M HEPES/Sodium hydroxide pH 7.0, 0.02M Magnesium chloride