5NI2

Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 21 2 21
Unit cell lengths	67.710, 84.610, 133.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.369 - 1.501
R-factor	0.1734
Rwork	0.172
R-free	0.19630
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	autoSHARP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.370	1.560
High resolution limit [Å]	1.500	1.500
Rmerge	0.099	2.077
Rpim	0.041	0.857
Number of reflections	122621	11695
<I/σ(I)>	9.25	0.67
Completeness [%]	99.5	96.4
Redundancy	6.6	6.7
CC(1/2)	0.996	0.285

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.7	277	22% (w/v) PEG 8000, 100 mM imidazole pH 6.7, 5 mM YbCl3