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