4J7T

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	2012-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93937
Spacegroup name	F 2 3
Unit cell lengths	168.392, 168.392, 168.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.654 - 3.203
R-factor	0.221
Rwork	0.220
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uui
RMSD bond length	0.005
RMSD bond angle	1.312
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
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]	37.939	37.654	3.370
High resolution limit [Å]	3.203	10.120	3.200
Rmerge		0.115	0.710
Total number of observations		2665	13149
Number of reflections	6634
<I/σ(I)>	10.1	3.5	1
Completeness [%]	99.8	93.9	100
Redundancy	13.6	12.1	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	298	1.9 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacodylate, pH 6.4, VAPOR DIFFUSION, temperature 298K