3CON

Crystal structure of the human NRAS GTPase bound with GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-13
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	83.061, 83.061, 38.907
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.967 - 1.649
R-factor	0.186
Rwork	0.185
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q21
RMSD bond length	0.016
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.710
High resolution limit [Å]	1.649	3.550	1.649
Rmerge	0.065	0.054	0.469
Number of reflections	18539
<I/σ(I)>	13.9
Completeness [%]	99.2	99.8	92.8
Redundancy	9.7	10	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	30.0% PEG 3350, 0.2M Magnesium chloride, 0.1 M Tris-HCl, GDP was added to the concentrated protein to a final concentration of 5mM. Crystallization were set up with 1:100 chymotrypsin, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K