9MJM

SOS1 IN COMPLEX WITH AN INHIBITOR

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-24
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	40.790, 85.150, 175.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.180 - 2.170
Rwork	0.207
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.240
High resolution limit [Å]	2.170	2.170
Rmerge	0.111	1.196
Rmeas	0.116	1.239
Rpim	0.031	0.322
Number of reflections	32970	2836
<I/σ(I)>	14.1
Completeness [%]	99.2	100
Redundancy	13.8	14.5
CC(1/2)	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M imidazole, 8% - 18% PEG 8000