8AWH

Leukotriene A4 hydrolase in complex with 4-(4-Benzylphenyl)-selenazol-2-amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	77.022, 87.519, 99.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.130 - 1.420
R-factor	0.1576
Rwork	0.156
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l2l
RMSD bond length	0.010
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.130	1.606
High resolution limit [Å]	1.415	1.415
Rmerge	0.199	1.917
Rmeas	0.207	2.007
Rpim	0.056	0.590
Number of reflections	76734	3837
<I/σ(I)>	11.3	1.838
Completeness [%]	95.6
Redundancy	13.3
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	12% PEG 8000, 100 mM sodium acetate, 5 mM ytterbium chloride, 100 mM imidazole pH 6.8