4JCZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93928
Spacegroup name	F 2 3
Unit cell lengths	170.281, 170.281, 170.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.783 - 2.750
R-factor	0.2133
Rwork	0.212
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uui
RMSD bond length	0.011
RMSD bond angle	1.637
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]	34.760	28.783	2.900
High resolution limit [Å]	2.750	8.700	2.750
Rmerge		0.016	0.016
Total number of observations		4053	19745
Number of reflections	10743
<I/σ(I)>	16.2	18.3	0.5
Completeness [%]	99.9	96.2	100
Redundancy	12.5	11.5	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