5NI6

Crystal structure of human LTA4H mutant D375N in complex with LTA4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	78.130, 87.450, 99.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.229 - 1.540
R-factor	0.1597
Rwork	0.158
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ni2
RMSD bond length	0.008
RMSD bond angle	0.947
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]	43.229	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.104	1.729
Rpim	0.045	0.753
Number of reflections	100716	9575
<I/σ(I)>	10.35	1.06
Completeness [%]	99.5	95.77
Redundancy	6.5	6.3
CC(1/2)	0.998	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7	277	22% (w/v) PEG 8000, 100 mM imidazole pH 7.0, 100 mM sodium acetate, 5 mM YbCl3