3N3K

The catalytic domain of USP8 in complex with a USP8 specific inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 61
Unit cell lengths	69.983, 69.983, 181.549
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.990 - 2.600
R-factor	0.18083
Rwork	0.178
R-free	0.24237
Structure solution method	MR
Starting model (for MR)	PDB entries 2GFO 3mtn
RMSD bond length	0.007
RMSD bond angle	1.018
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	15464
<I/σ(I)>	17.14	5.89
Completeness [%]	100.0	100
Redundancy	11.6	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	291	24% PEG3350, 0.1 M BIS-TRIS, 0.2 M AMMONIUM ACETATE, 1 MM DTT, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K