3FUE

Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.977408
Spacegroup name	P 21 21 21
Unit cell lengths	78.084, 86.936, 99.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.380
R-factor	0.194
Rwork	0.191
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fh7
RMSD bond length	0.018
RMSD bond angle	1.649
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.380	2.380
Rmerge	0.126	0.425
Number of reflections	26939
<I/σ(I)>	4.7
Completeness [%]	97.6	97.5
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	13% PEG 8000, 100 mM Imidazole pH 6.5, 100 mM Na Acetate, 5 mM YbCl3, soak vs. 25 mM 5-chloroindole then 25 mM 5-chloroindole plus 1 mM bestatin, VAPOR DIFFUSION, SITTING DROP, temperature 289K