3DSZ

Engineered human lipocalin 2 in complex with Y-DTPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 41 21 2
Unit cell lengths	82.350, 82.350, 115.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
Rwork	0.213
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.979	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	0.372
Number of reflections	26827
<I/σ(I)>	4.1	6.1
Completeness [%]	98.2	97.4
Redundancy	9.7	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	22% polyethylene glycol 3350, 0.1M Bistris/HCl, pH5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K