6N0M

CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	110
Detector technology	CCD
Collection date	2016-12-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	I 2 3
Unit cell lengths	290.410, 290.410, 290.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 3.300
R-factor	0.1869
Rwork	0.184
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dj4
RMSD bond length	0.012
RMSD bond angle	1.607
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	3.060
High resolution limit [Å]	2.980	2.980
Rmerge	0.530
Rmeas		0.543
Number of reflections	82533
<I/σ(I)>	8.2	0.29
Completeness [%]	99.8	99.3
Redundancy	23
CC(1/2)		0.223

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.35M Na malonate pH 6.5, 0.1M Mes pH 6.0