2PNO

Crystal structure of human leukotriene C4 synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	117.500, 293.900, 206.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.300
R-factor	0.22281
Rwork	0.221
R-free	0.25462
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.975
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.480
High resolution limit [Å]	3.300	3.300
Rmerge	0.080	0.443
Number of reflections	54085
<I/σ(I)>	20.3	4.3
Completeness [%]	99.9	100
Redundancy	7.5	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1M Hepes/NaOH, 30%(v/v) PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1M Hepes/NaOH, 30%(v/v) PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1M Hepes/NaOH, 30%(v/v) PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K