4R8M

Human SIRT2 crystal structure in complex with BHJH-TM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.977
Spacegroup name	P 1 21 1
Unit cell lengths	36.936, 116.799, 70.905
Unit cell angles	90.00, 91.77, 90.00

Refinement procedure

Resolution	45.110 - 2.100
R-factor	0.22353
Rwork	0.221
R-free	0.27332
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zgo
RMSD bond length	0.009
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	0.551
Number of reflections	35229
<I/σ(I)>	9.921	2.385
Completeness [%]	97.7	97.3
Redundancy	4.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K