9F4V

UP1 in complex with EN300-118084

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	37.999, 43.804, 55.982
Unit cell angles	90.00, 94.06, 90.00

Refinement procedure

Resolution	37.900 - 1.400
R-factor	0.1823
Rwork	0.181
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.017
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]	37.900	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.039	0.226
Rmeas	0.055	0.320
Rpim	0.039	0.226
Total number of observations	61826	2084
Number of reflections	35493	1483
<I/σ(I)>	9.4	2.3
Completeness [%]	97.7
Redundancy	1.7	1.4
CC(1/2)	0.996	0.879

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