4JRZ

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	2011-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93927
Spacegroup name	F 2 3
Unit cell lengths	169.108, 169.108, 169.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.660 - 2.400
R-factor	0.2345
Rwork	0.233
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uui
RMSD bond length	0.008
RMSD bond angle	1.365
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]	20.728	20.660	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.043	0.557
Total number of observations		1095	5803
Number of reflections	15351
<I/σ(I)>	9.8	14.6	1.2
Completeness [%]	97.4	70.1	89.3
Redundancy	3.5	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.4	298	2.2 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.4, VAPOR DIFFUSION, temperature 298K