9FDR

Crystal structure of human Sirt2 in apo form with opened selectivity pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	35.932, 73.251, 54.760
Unit cell angles	90.00, 95.52, 90.00

Refinement procedure

Resolution	54.510 - 1.250
R-factor	0.1798
Rwork	0.179
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.844
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.250	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.057	1.082
Rmeas	0.063	1.197
Rpim	0.027	0.503
Total number of observations	421255	21113
Number of reflections	77852	3855
<I/σ(I)>	12.2	1.5
Completeness [%]	99.9
Redundancy	5.4	5.5
CC(1/2)	0.999	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	31 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.5