4NTB

Mus Musculus LTC4 synthase in GSH complex form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.93990
Spacegroup name	F 2 3
Unit cell lengths	169.297, 169.297, 169.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.216 - 2.700
R-factor	0.2135
Rwork	0.212
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2UUI with water
RMSD bond length	0.010
RMSD bond angle	1.278
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.959	28.216	2.850
High resolution limit [Å]	1.996	8.540	2.700
Rmerge		0.013	0.013
Number of reflections	11166
<I/σ(I)>	21.3	26.9	0.6
Completeness [%]	99.9	97.2	100
Redundancy	11.1	10.5	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	298	2.1 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.2, VAPOR DIFFUSION, temperature 298K