5BWL

Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 21 2 21
Unit cell lengths	42.420, 55.536, 124.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.071 - 1.548
R-factor	0.2133
Rwork	0.212
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nyr
RMSD bond length	0.018
RMSD bond angle	1.403
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.548	1.550
Rmerge	0.060
Number of reflections	43833
<I/σ(I)>	25.3	6.9
Completeness [%]	97.7	100
Redundancy	4.59	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris (pH 6.5), 20% PEG 3350