6GHA

USP15 catalytic domain structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-19
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	48.505, 62.621, 62.043
Unit cell angles	90.00, 104.97, 90.00

Refinement procedure

Resolution	35.248 - 1.980
R-factor	0.1997
Rwork	0.198
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y6e
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.860	46.860	2.020
High resolution limit [Å]	1.970	9.020	1.970
Rmerge	0.111	0.061	1.060
Rmeas	0.134	0.072	1.281
Rpim	0.074	0.038	0.711
Total number of observations	73950
Number of reflections	24858	280	1559
<I/σ(I)>	4.7
Completeness [%]	97.3	98.2	86.3
Redundancy	3	3	3
CC(1/2)	0.991	0.994	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.1 M Tris-Cl pH 8.5, 20% PEG 2000