8OSN

GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE CRISTAL
Synchrotron site	SOLEIL
Beamline	CRISTAL
Temperature [K]	293
Detector technology	CCD
Collection date	2015-07-22
Detector	RAYONIX SX-165mm
Wavelength(s)	0.51035
Spacegroup name	P 32 2 1
Unit cell lengths	39.511, 39.511, 160.840
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.220 - 1.800
R-factor	0.1778
Rwork	0.176
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.576
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.220	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.093	0.862
Rmeas	0.105	0.978
Rpim	0.049	0.453
Total number of observations	57558	8330
Number of reflections	13389	1912
<I/σ(I)>	9.6	1.6
Completeness [%]	95.1
Redundancy	4.3	4.4
CC(1/2)	0.998	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	40 MM TRIS HCL, 10 MM MGCL2, 2 MM DTE, 26-30 % PEG-400