3B29

Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97909, 0.97938, 0.97600, 0.98300
Spacegroup name	F 2 3
Unit cell lengths	168.594, 168.594, 168.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.420 - 3.200
R-factor	0.20325
Rwork	0.203
R-free	0.20948
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.600
High resolution limit [Å]	3.200	3.200
Rmerge	0.125	0.130
Number of reflections	6018
Completeness [%]	89.9	89.9
Redundancy	22	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES-NaOH, 1.6M ammonium sulfate, 0.4M magnesium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K