4NTF

Mus Musculus LTC4 synthase in S-hexyl-GSH complex form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.93928
Spacegroup name	F 2 3
Unit cell lengths	169.107, 169.107, 169.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.817 - 2.650
R-factor	0.2173
Rwork	0.216
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2UUI with waters ions and lipids removed.
RMSD bond length	0.010
RMSD bond angle	1.367
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.959	48.817	2.790
High resolution limit [Å]	1.994	8.380	2.650
Rmerge		0.016	0.016
Total number of observations		4255	14287
Number of reflections	11772
<I/σ(I)>	24.7	13.2	0.5
Completeness [%]	100.0	99.4	100
Redundancy	10.9	10.5	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	298	2.0 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.2, VAPOR DIFFUSION, temperature 298K