5BPP

Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-01
Detector	RAYONIX MX-225
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	77.983, 87.186, 99.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 2.030
R-factor	0.1832
Rwork	0.181
R-free	0.22406
RMSD bond length	0.019
RMSD bond angle	1.869
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.630	2.083
High resolution limit [Å]	2.030	2.030
Number of reflections	41874
<I/σ(I)>	7.3
Completeness [%]	98.6
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10MM TRIS-HCL, 25MM KCL, 4(MG/ML) TO 8(MG/ML) LTA4H (PH 8) WAS MIXED AT DIFFERENT RATIOS (0.5:1, 1:1, AND 1:2) WITH PRECIPITATE SOLUTION CONTAINING 0.15M IMIDAZOLE, 0.1M SODIUM ACETATE, 14% PEG8000, 5MM YBCL3