5NIA

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

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)	0.97625
Spacegroup name	H 3
Unit cell lengths	153.000, 153.000, 74.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.167 - 1.764
R-factor	0.1816
Rwork	0.180
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ni2
RMSD bond length	0.015
RMSD bond angle	1.229
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]	44.167	1.827
High resolution limit [Å]	1.764	1.764
Rmerge	0.104	1.785
Rpim	0.043	0.752
Number of reflections	64241	6342
<I/σ(I)>	9.28	1.02
Completeness [%]	99.8	98.28
Redundancy	6.8	6.4
CC(1/2)	0.998	0.394

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