9F5F

UP1 in complex with Z992569480

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	37.977, 43.898, 55.937
Unit cell angles	90.00, 94.19, 90.00

Refinement procedure

Resolution	32.460 - 1.400
R-factor	0.1794
Rwork	0.178
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.030
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]	32.460	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.058
Rmeas	0.082
Rpim	0.058
Total number of observations	62386
Number of reflections	35726	1525
<I/σ(I)>	7.8	4
Completeness [%]	98.4	85.4
Redundancy	1.7	1.3
CC(1/2)	0.986	0.913

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