5H9L

Crystal Structure of LTBP1 in complex with cleaved 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	2014-04-01
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97910
Spacegroup name	P 1 21 1
Unit cell lengths	34.274, 58.388, 36.294
Unit cell angles	90.00, 103.69, 90.00

Refinement procedure

Resolution	33.300 - 1.370
R-factor	0.1651
Rwork	0.164
R-free	0.19140
RMSD bond length	0.006
RMSD bond angle	1.082
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	1.390
High resolution limit [Å]	1.370	3.720	1.370
Rmerge	0.093	0.057	0.515
Rmeas	0.105	0.065	0.595
Rpim	0.049	0.030	0.292
Total number of observations	135841
Number of reflections	29238
<I/σ(I)>	9.2
Completeness [%]	99.8	98.6	99.9
Redundancy	4.6	4.4	3.9
CC(1/2)		0.995	0.747

Crystallization Conditions

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