7AV1

LTA4 hydrolase in complex with fragment2

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	2011-12-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	77.873, 87.109, 98.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.180 - 1.790
R-factor	0.1586
Rwork	0.157
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6end
RMSD bond length	0.010
RMSD bond angle	0.990
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]	24.180	24.180	1.840
High resolution limit [Å]	1.790	8.010	1.790
Rmerge	0.087	0.028	0.678
Rmeas	0.096	0.031	0.748
Total number of observations	352987
Number of reflections	63418	778	4600
<I/σ(I)>	14.19	40.87	2.61
Completeness [%]	98.9	95.1	98.2
Redundancy	5.566	5.122	5.547

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