9F4P

UP1 in complex with Z1217960891

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	38.020, 43.868, 56.094
Unit cell angles	90.00, 94.16, 90.00

Refinement procedure

Resolution	55.950 - 1.400
R-factor	0.1898
Rwork	0.189
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.098
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]	55.950	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.039	0.201
Rmeas	0.056	0.284
Rpim	0.039	0.201
Total number of observations	60452	1940
Number of reflections	35810	1525
<I/σ(I)>	9.9	2.6
Completeness [%]	98.3
Redundancy	1.7	1.3
CC(1/2)	0.995	0.909

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