5NIE

Crystal structure of human LTA4H mutant R563A in open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-14
Detector	RAYONIX MX-225
Wavelength(s)	0.8729
Spacegroup name	P 21 21 21
Unit cell lengths	51.970, 132.150, 320.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.473 - 2.603
R-factor	0.2378
Rwork	0.235
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ni2
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.473	2.696
High resolution limit [Å]	2.603	2.603
Rmerge	0.193	1.109
Rpim	0.081	0.576
Number of reflections	64086	5413
<I/σ(I)>	5.9	0.94
Completeness [%]	92.8	80
Redundancy	5.6	3.6
CC(1/2)	0.984	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	294	20% (w/v) PEG MME 5000, 100 mM MES monohydrate pH 6.0, 150 mM Ammonium Sulfate