7AV0

LTA4 hydrolase in complex with compound R(13)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-03-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	78.151, 87.057, 99.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.820 - 1.900
R-factor	0.1569
Rwork	0.155
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6end
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.820	27.820	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.126	0.034	0.907
Rmeas	0.137	0.037	0.982
Total number of observations	357113
Number of reflections	54201	677	3984
<I/σ(I)>	12.65	39.39	2.62
Completeness [%]	99.9	97	99.9
Redundancy	6.589	5.891	6.808
CC(1/2)	0.997	0.999	0.806

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