3DTQ

Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form

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	2006-01-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 41 21 2
Unit cell lengths	113.593, 113.593, 119.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.500
Rwork	0.262
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x71
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.479	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.154	0.331
Number of reflections	27785
<I/σ(I)>	2.8	5.1
Completeness [%]	100.0	100
Redundancy	8.7	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.0 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Tris/HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K