6BT0

CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1

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	2016-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	49.150, 60.140, 66.320
Unit cell angles	68.35, 90.01, 72.05

Refinement procedure

Resolution	46.370 - 2.600
R-factor	0.2219
Rwork	0.217
R-free	0.31640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xtq
RMSD bond length	0.012
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.370	46.370	1.830
High resolution limit [Å]	1.780	7.960	1.780
Rmerge	0.312	0.031
Rmeas	0.441	0.043
Number of reflections	18856	690	2735
<I/σ(I)>	2.58	19.59	0.03
Completeness [%]	84.7	96.1	57.9
Redundancy	1.989	1.986	1.958
CC(1/2)	0.959	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	19% PEG 1500, 0.1M Na acetate pH 5.0