7AUZ

LTA4 hydrolase in complex with compound LYS006

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	2014-08-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	78.189, 86.700, 98.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 1.900
R-factor	0.1725
Rwork	0.171
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6end
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.920	28.920	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.136	0.040	0.944
Rmeas	0.148	0.044	0.900
Total number of observations	355115
Number of reflections	53639	667	3923
<I/σ(I)>	10.55	36.25	1.8
Completeness [%]	99.9	96.7	100
Redundancy	6.62	6.012	6.25
CC(1/2)	0.996	0.999	0.634

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