6FUL

Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999990
Spacegroup name	P 21 21 21
Unit cell lengths	79.181, 82.801, 93.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.761 - 1.649
R-factor	0.1779
Rwork	0.176
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3avs
RMSD bond length	0.007
RMSD bond angle	0.803
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.761	4.920
High resolution limit [Å]	1.649	1.649
Number of reflections	138199	22076
<I/σ(I)>	8.02
Completeness [%]	96.9	95.8
Redundancy	1.96	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl (pH 8.5), Li2 SO4 (0.15-0.25 M), PEG 3350 (20-25% w/v)