4RSG

Neutron crystal structure of Ras bound to the GTP analogue GppNHp

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	ORNL High Flux Isotope Reactor BEAMLINE CG4D
Synchrotron site	ORNL High Flux Isotope Reactor
Beamline	CG4D
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2014-05-09
Detector	FUJI
Wavelength(s)	3.3-4.5
Spacegroup name	P 32 2 1
Unit cell lengths	40.084, 40.084, 160.785
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.009 - 1.907
R-factor	0.253
Rwork	0.249
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.872
Data reduction software	LAUEGEN
Data scaling software	SCALA (3.2.25)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.010	16.954	2.000
High resolution limit [Å]	1.899	6.010	1.899
Rmerge	0.262	0.132	0.379
Number of reflections	9888
<I/σ(I)>	5.6	4.1	1.9
Completeness [%]	82.1	92	60.4
Redundancy	6.2	6.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	18mg/mL protein, 0.2M calcium acetate, 20% PEG 3350, 20mM HEPES, 50mM NaCl, 20mM MgCl2, 0.1% N-octy-B-D-glucopyranoside, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K