7TTJ

Stable-5-LOX elongated Ha2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	52.730, 204.574, 74.115
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	50.250 - 2.100
R-factor	0.1857
Rwork	0.184
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o8y
RMSD bond length	0.012
RMSD bond angle	1.074
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]	50.250	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	86889	8644
<I/σ(I)>	19.17	1.87
Completeness [%]	99.7	99.12
Redundancy	2
CC(1/2)	0.999	0.899

Crystallization Conditions

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