5H9K

Crystal of a leukotriene-binding salivary lipocalin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-14
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	35.130, 58.700, 35.480
Unit cell angles	90.00, 111.78, 90.00

Refinement procedure

Resolution	32.947 - 1.352
R-factor	0.1614
Rwork	0.160
R-free	0.18010
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.085
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.000		1.390
High resolution limit [Å]	1.350	6.050	1.350
Rmerge	0.035	0.028	0.121
Rmeas	0.039	0.032	0.136
Total number of observations	152423
Number of reflections	28694	342	1999
<I/σ(I)>	30.48	50.04	10.69
Completeness [%]	97.7	96.9	92.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris pH 8.0, 30 % PEG 6000