9F7H

UP1 in complex with Z45617795

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	37.957, 43.907, 56.190
Unit cell angles	90.00, 94.38, 90.00

Refinement procedure

Resolution	37.850 - 1.430
R-factor	0.1805
Rwork	0.179
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.940
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]	37.850	1.450
High resolution limit [Å]	1.430	1.430
Number of reflections	33868	1694
<I/σ(I)>	7.2
Completeness [%]	98.9
Redundancy	1.77
CC(1/2)	0.992	0.816

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