6GH9

USP15 catalytic domain in complex with small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97951
Spacegroup name	P 1 21 1
Unit cell lengths	62.070, 94.390, 63.290
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	62.070 - 2.090
R-factor	0.2052
Rwork	0.203
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y6e
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.070	62.070	2.140
High resolution limit [Å]	2.090	9.350	2.090
Rmerge	0.102	0.027	1.619
Rmeas	0.115	0.031	1.815
Rpim	0.052	0.015	0.807
Total number of observations	203657
Number of reflections	42810	501	3153
<I/σ(I)>	9.9
Completeness [%]	99.1	98.3	98.6
Redundancy	4.8	4.5	4.9
CC(1/2)	0.998	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.1 M Hepes pH 7.0, 14% MPD