7X3P

Crystal structure of human SIRT5 in complex with diazirine inhibitor 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	198
Detector technology	PIXEL
Collection date	2019-11-03
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97919
Spacegroup name	P 1 21 1
Unit cell lengths	41.332, 65.034, 55.658
Unit cell angles	90.00, 93.58, 90.00

Refinement procedure

Resolution	27.775 - 1.560
R-factor	0.1395
Rwork	0.139
R-free	0.16340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eqs
RMSD bond length	0.009
RMSD bond angle	1.130
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.550	1.656
High resolution limit [Å]	1.560	1.560
Rmeas	0.676	0.676
Number of reflections	41469
<I/σ(I)>	0.1
Completeness [%]	96.7
Redundancy	1.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	23%-27% (v/v) PEG 3350, 0.1 M MES, pH 5.5-6.0, 0.1-0.2 M NaCl