8OSM

GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT 200 MPA 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	39.371, 39.371, 158.899
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.340 - 2.050
R-factor	0.1738
Rwork	0.171
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.485
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]	39.720	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.100	0.735
Rmeas	0.110	0.807
Rpim	0.044	0.320
Total number of observations	42809	6112
Number of reflections	8380	1192
<I/σ(I)>	11.2	2.7
Completeness [%]	87.3
Redundancy	5.1	5.1
CC(1/2)	0.998	0.793

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