7VVA

Pseudouridine 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	2020-11-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97932
Spacegroup name	P 1 21 1
Unit cell lengths	71.954, 271.889, 101.202
Unit cell angles	90.00, 110.91, 90.00

Refinement procedure

Resolution	33.641 - 2.750
R-factor	0.29677572334
Rwork	0.296
R-free	0.32486
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzh
RMSD bond length	0.003
RMSD bond angle	0.802
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	2.850
High resolution limit [Å]	2.750	2.750
Number of reflections	92181	9234
<I/σ(I)>	7.75
Completeness [%]	99.7
Redundancy	3.5
CC(1/2)	0.954	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1M lithium chloride, 0.1M MES (pH6.0), 18% PEG 6,000