6N55

Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	198
Detector technology	CCD
Collection date	2017-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	92.747, 85.764, 153.367
Unit cell angles	90.00, 95.39, 90.00

Refinement procedure

Resolution	38.500 - 3.085
R-factor	0.2136
Rwork	0.211
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uj2
RMSD bond length	0.002
RMSD bond angle	0.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rmeas	0.105	0.723
Rpim	0.055	0.389
Number of reflections	43747	2171
<I/σ(I)>	22.4	1.85
Completeness [%]	99.8	100
Redundancy	3.7	3.4
CC(1/2)	0.986	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50 mM BIS-TRIS pH 6.5, 25 mM ammonium sulfate, 32% pentaerythritol ethoxylate (15/4 EO/OH)