9F7F

UP1 in complex with Z1491353358

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	38.060, 44.410, 55.600
Unit cell angles	90.00, 94.21, 90.00

Refinement procedure

Resolution	37.960 - 1.550
R-factor	0.1885
Rwork	0.187
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.929
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.960	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	26646	1279
<I/σ(I)>	10.9
Completeness [%]	98.6
Redundancy	1.79
CC(1/2)	0.975	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris-HCl, pH 8.50, 25% PEG-4000, 8% 2-Methyl-2,4-pentanediol