6ZIZ

CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	115.829, 45.790, 86.045
Unit cell angles	90.00, 111.28, 90.00

Refinement procedure

Resolution	54.000 - 1.785
R-factor	0.2081
Rwork	0.207
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zio
RMSD bond length	0.011
RMSD bond angle	1.080
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	PHASER
Refinement software	BUSTER (2.11.7 (3-OCT-2019))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.950	1.986
High resolution limit [Å]	1.785	1.785
Rmerge	0.171	0.988
Number of reflections	25105	1255
<I/σ(I)>	7.7	1.6
Completeness [%]	87.6	51.4
Redundancy	5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		278	Morpheus buffer 1 100mM pH=6.6 Morpheus Monosacharides 14% P550MME_P20K 32%