7VKP

Crystal structure of E.coli pseudouridine kinase PsuK

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	2021-09-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 63 2 2
Unit cell lengths	186.183, 186.183, 52.213
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.180 - 2.300
R-factor	0.2252
Rwork	0.223
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c1y
RMSD bond length	0.008
RMSD bond angle	0.997
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	0.148	0.520
Rmeas	0.151	0.549
Rpim	0.029	0.169
Number of reflections	24045	2362
<I/σ(I)>	22.25	3.5
Completeness [%]	99.9	99.9
Redundancy	21	9.6
CC(1/2)	1.000	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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