7RA9

Designed StabIL-2 seq1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 65 2 2
Unit cell lengths	46.588, 46.588, 234.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.350 - 2.200
R-factor	0.2572
Rwork	0.253
R-free	0.29270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nej
RMSD bond length	0.001
RMSD bond angle	0.407
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.350	2.279
High resolution limit [Å]	2.200	2.200
Rmeas	0.309	3.606
Rpim	0.074	1.141
Number of reflections	8217	697
<I/σ(I)>	5.78	0.57
Completeness [%]	96.0	78.84
Redundancy	16.9	9.6
CC(1/2)	0.998	0.266

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	295	0.2 M Li2SO4, 0.1 M CAPS pH 10.5, 1.2 M NaH2PO4, and 0.8 M K2HPO4