3U9P

Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment

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	2010-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.133, 124.091, 147.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 2.800
R-factor	0.2229
Rwork	0.219
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.284
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.071	0.032	0.361
Number of reflections	35241
<I/σ(I)>	13.2
Completeness [%]	93.1	85.7	95.8
Redundancy	4.6	4.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	20% PEG 8000, 0.1M sodium citrate, 0.2M sodium chloride, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K