8QPN

LTA4 hydrolase in complex with compound 6(S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.988
Spacegroup name	P 21 21 21
Unit cell lengths	77.790, 86.869, 99.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.000
R-factor	0.1904
Rwork	0.189
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	45978	3339
<I/σ(I)>	8.97
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	10% PEG 8000, 0.1 IMIDAZOLE PH 6.8, 0.1 SODIUM ACETATE, 0.005 M YBCL3