3KFF

Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-04
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	47.617, 53.747, 61.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.700 - 0.960
R-factor	0.136
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MUP-I (PDB CODE 1I06)
RMSD bond length	0.014
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	0.990
High resolution limit [Å]	0.960	0.960
Rmerge	0.068	0.302
Number of reflections	92249
<I/σ(I)>	16.9	2.4
Completeness [%]	95.7	73
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	298	0.2-0.5 M calcium chloride dihydrate, 20% (w/v) polyethylene glycol 3350, pH 6, vapor diffusion, temperature 298K