7RAA

Designed StabIL-2 seq15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	66.372, 66.372, 298.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.770 - 2.690
R-factor	0.2531
Rwork	0.250
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in silico predicted model
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.770	2.900
High resolution limit [Å]	2.690	2.690
Rmeas	0.105	3.205
Rpim	0.020	0.623
Number of reflections	13754	688
<I/σ(I)>	16.3	0.16
Completeness [%]	70.6	18.07
Redundancy	27.4	25.2
CC(1/2)	1.000	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	0.2 M MgCl2, 0.1 M Tris pH 8.3, 24% PEG 3350 with microseeding