5HA0

Crystal structure of the LTBP1 leukotriene d4 complex

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	2015-06-25
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	34.402, 58.299, 36.039
Unit cell angles	90.00, 104.14, 90.00

Refinement procedure

Resolution	33.360 - 1.441
R-factor	0.1612
Rwork	0.160
R-free	0.18820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5h9l
RMSD bond length	0.006
RMSD bond angle	1.080
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.460
High resolution limit [Å]	1.440	3.910	1.440
Rmerge	0.067	0.042	0.247
Rmeas	0.077	0.048	0.290
Rpim	0.036	0.023	0.148
Total number of observations	111921
Number of reflections	24723
<I/σ(I)>	9.3
Completeness [%]	99.0	98.8	96.2
Redundancy	4.5	4.5	3.5
CC(1/2)		0.996	0.932

Crystallization Conditions

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