7VTE

uridine bound structure of Pseudouridine kinase (PUKI) 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	185.689, 185.689, 50.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.893 - 2.153
R-factor	0.250970146051
Rwork	0.250
R-free	0.28659
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzh
RMSD bond length	0.005
RMSD bond angle	1.029
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	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	104992	10537
<I/σ(I)>	12.7
Completeness [%]	99.7
Redundancy	5.5
CC(1/2)	0.980	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M magnesium formate, 20% PEG3350, 5% glycerol