5NI4

Crystal structure of human LTA4H mutant E271A in complex with LTA4 (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)	0.97625
Spacegroup name	P 32
Unit cell lengths	139.560, 139.560, 87.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.807 - 1.895
R-factor	0.1636
Rwork	0.162
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ni2
RMSD bond length	0.005
RMSD bond angle	0.844
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]	49.810	1.963
High resolution limit [Å]	1.895	1.895
Rmerge	0.189	1.609
Rpim	0.081	0.695
Number of reflections	152082	15217
<I/σ(I)>	6.61	0.93
Completeness [%]	99.9	99.6
Redundancy	6.4	6.3
CC(1/2)	0.994	0.351

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 MES/imidazole pH 6.9, 20 mM of each alcohol (1,6-hexanediol, 1-butanol, (RS)-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol)