3S26

Crystal Structure of Murine Siderocalin (Lipocalin 2, 24p3)

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
Collection date	2011-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	42.890, 43.960, 101.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.530 - 1.800
R-factor	0.20216
Rwork	0.201
R-free	0.22605
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.495
Data reduction software	d*TREK (9.9.3D)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.890	42.890	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.046	0.030	0.426
Number of reflections	18574
<I/σ(I)>	14.7	43.2	3.5
Completeness [%]	99.9	99.8	100
Redundancy	6.87	6.39	7.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES, 20% PEG 4000, 10% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K