7TTK

Stable-5-LOX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	55.440, 203.197, 76.566
Unit cell angles	90.00, 110.24, 90.00

Refinement procedure

Resolution	101.600 - 1.980
R-factor	0.1666
Rwork	0.165
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o8y
RMSD bond length	0.011
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.600	2.050
High resolution limit [Å]	1.980	1.980
Number of reflections	107838	10149
<I/σ(I)>	9.55	1.15
Completeness [%]	98.4	92.61
Redundancy	2
CC(1/2)	0.995	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	10% Tacsimate