5YQN

Crystal structure of Sirt2 in complex with selective inhibitor L55

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	35.864, 73.510, 55.573
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	32.126 - 1.600
R-factor	0.175
Rwork	0.173
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mat
RMSD bond length	0.006
RMSD bond angle	1.086
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Rpim	0.070	0.223
Number of reflections	37688
<I/σ(I)>	10
Completeness [%]	99.5
Redundancy	3.4
CC(1/2)		0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES PH7.4, 30% PEG 3350