6L66

Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule

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	2019-03-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97906
Spacegroup name	P 1 21 1
Unit cell lengths	37.480, 78.044, 56.236
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	37.149 - 2.169
R-factor	0.1767
Rwork	0.174
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3p
RMSD bond length	0.008
RMSD bond angle	1.021
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.160	2.160
Number of reflections	17043	615
<I/σ(I)>	5.67
Completeness [%]	91.0
Redundancy	3.3
CC(1/2)	0.954	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	291.15	0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000