9ZIO

Crystal Structure of RASProtease(II), a Designed RAS-specific Subtilisin

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	PIXEL
Collection date	2023-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	49.130, 60.580, 70.160
Unit cell angles	90.00, 93.75, 90.00

Refinement procedure

Resolution	41.450 - 1.490
R-factor	0.1239
Rwork	0.122
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.058
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.070	0.467
Rmeas	0.076	0.510
Rpim	0.029	0.200
Total number of observations	426425	18722
Number of reflections	65293	3024
<I/σ(I)>	15.8	2.4
Completeness [%]	97.9
Redundancy	6.5	6.2
CC(1/2)	0.998	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM sodium formate, 20% PEG 3350