4JC7

Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	F 2 3
Unit cell lengths	169.392, 169.392, 169.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.348 - 2.700
R-factor	0.217
Rwork	0.215
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.747
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.959	42.348	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.021	0.828
Total number of observations		4243	20473
Number of reflections	11182
<I/σ(I)>	24	18	0.9
Completeness [%]	100.0	99.3	100
Redundancy	12.6	11.2	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	298	2.0 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.4, VAPOR DIFFUSION, temperature 298K