4G3X

Crystal Structure of Q61L H-Ras-GppNHp bound to the RBD of Raf Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	91.400, 91.400, 93.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.600 - 3.250
R-factor	0.2754
Rwork	0.251
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3K8Y for Chain A and PDB 1GUA for Chain B
RMSD bond length	0.009
RMSD bond angle	0.597
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	32.600
High resolution limit [Å]	3.250
Rmerge	0.180
Number of reflections	6462
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	Protein solution: 10 - 18 mg/mL, 50 mM HEPES, pH 7.2, 50 mM NaCl, 10mM MgCl2 5% Glycerol, 1mM DTE, 10 M ZnCl2 Reservoir solution:200mM calcium acetate, 100mM sodium cacodylate pH 6.5, 18% PEG 8000. Drop: 3uL protein, 3uL reservoir , VAPOR DIFFUSION, HANGING DROP, temperature 291K