5NID

Crystal structure of human LTA4H mutant D375N in open conformation (crystal form II)

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	2016-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	H 3
Unit cell lengths	153.930, 153.930, 76.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.436 - 1.568
R-factor	0.1836
Rwork	0.182
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ni2
RMSD bond length	0.010
RMSD bond angle	0.956
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.440	1.624
High resolution limit [Å]	1.568	1.568
Rmerge	0.059	1.882
Rpim	0.023	0.785
Number of reflections	95099	9558
<I/σ(I)>	13.67	0.96
Completeness [%]	99.9	99.74
Redundancy	6.9	6.8
CC(1/2)	0.999	0.374

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	8% (w/v) PEG 20 000, 15% (w/v) PEG MME 550, 100 mM Hepes/MOPS pH 7.7-8.0, 15 mM CaCl2, 15 mM MgCl2