1L6M

Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 41 21 2
Unit cell lengths	115.078, 115.078, 115.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.400
R-factor	0.23376
Rwork	0.232
R-free	0.27100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qqs
RMSD bond length	0.013 *
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.400	2.400 *
Rmerge	0.057 *	0.510 *
Total number of observations	312664 *
Number of reflections	30746 *
Completeness [%]	100.0 *	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5 *	298	Goetz, D.H., (2000) Biochemistry, 39, 1935. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	18-22 (%(w/w))
3	1	reservoir	glycerol	15 (%(v/v))
4	1	reservoir	sodium acetate	100 (mM)