8X6Q

Crystal structure of OsHSL1 L204F/F298L/I335F complexed with 2-acetyl-cyclohexane-2,4-dione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.06
Spacegroup name	P 1
Unit cell lengths	45.927, 58.894, 140.240
Unit cell angles	89.97, 90.00, 111.98

Refinement procedure

Resolution	36.400 - 2.390
R-factor	0.2516
Rwork	0.249
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.390	2.390
Rmerge	0.131	0.326
Number of reflections	52378	2509
<I/σ(I)>	4.38	2.18
Completeness [%]	94.4
Redundancy	1.84
CC(1/2)	0.955	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Bis-Tris, PEG3350, ammonium sulfate