5H9N

Crystal structure of LTBP1 Y114A mutant in complex with leukotriene C4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-15
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	34.229, 58.091, 36.152
Unit cell angles	90.00, 104.16, 90.00

Refinement procedure

Resolution	28.817 - 1.280
R-factor	0.1634
Rwork	0.162
R-free	0.18710
RMSD bond length	0.006
RMSD bond angle	1.148
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.300
High resolution limit [Å]	1.280	3.470	1.280
Rmerge	0.048	0.038	0.164
Rmeas	0.054	0.043	0.186
Rpim	0.025	0.020	0.088
Total number of observations	155314
Number of reflections	33498
<I/σ(I)>	15.2
Completeness [%]	94.6	82.4	76.8
Redundancy	4.6	4.1	4.1
CC(1/2)		0.997	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris, pH 8, 30 % PEG 6000