7JII

HRAS A59E GDP

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	2019-05-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	38.593, 37.946, 56.254
Unit cell angles	107.36, 107.19, 95.32

Refinement procedure

Resolution	36.137 - 1.532
R-factor	0.1614
Rwork	0.158
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8y
RMSD bond length	0.006
RMSD bond angle	0.914
Data reduction software	HKL-3000
Data scaling software	HKL-2000
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	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.020	0.018	0.092
Rmeas	0.028	0.024	0.127
Rpim	0.018	0.017	0.087
Total number of observations	60862
Number of reflections	28216	2118	50
<I/σ(I)>	38.3
Completeness [%]	65.5	98.2	2.3
Redundancy	2.2	2.2	1.5
CC(1/2)		0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	Starting concentration of HRAS A59T GppNHp was 15.2mg/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, 43.5mM Ca(OAc)2, and 20.5% PEG 3350.