7JIH

HRAS A59E GppNHp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	173.15
Detector technology	IMAGE PLATE
Collection date	2019-03-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	55.675, 49.832, 57.320
Unit cell angles	90.00, 117.81, 90.00

Refinement procedure

Resolution	29.170 - 1.989
R-factor	0.202
Rwork	0.196
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8y
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-3000
Phasing software	PHENIX (1.11.1-2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.989	5.400	1.989
Rmerge	0.083	0.060	0.598
Rmeas	0.098	0.073	0.801
Rpim	0.051	0.039	0.526
Number of reflections	15450	998	63
<I/σ(I)>	6.6
Completeness [%]	80.2	98.4	6.7
Redundancy	3.3	3.5	1.4
CC(1/2)		0.995	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	Starting concentration of HRAS A59T GppNHp was 18.1mg/mL in buffer containing 20mM HEPES, 50mM NaCl, 20mM MgCl2 and 1mM DTT at pH 7.5. Used a 24-well plate sealed with Vaseline and total well volumes of 0.402mL. Hanging drops were 0.001mL mother liquor to 0.001mL protein. Mother liquor contained 2.6mM NaCl, 1mM MgCl2, 15.7mM HEPES (pH7.5), 2.5mM DTT, 9.95mM Ca(OAc)2, and 19.9% PEG 3350.