3BX8

Engineered Human Lipocalin 2 (LCN2), 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	2006-10-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 1
Unit cell lengths	61.482, 92.861, 98.825
Unit cell angles	110.77, 90.00, 109.36

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.251
R-free	0.28200
Starting model (for MR)	1DFV chain B
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	129807
<I/σ(I)>	16.2	2
Completeness [%]	83.2	46.9
Redundancy	1.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.45	293	1.45M ammonium sulphate, 0.1M Na-cacodylate, 0.1% (v/v) Anapoe X-405, pH 5.45, VAPOR DIFFUSION, SITTING DROP, temperature 293K