3KFH

Major mouse urinary protein IV complexed with 2-ethylhexanol

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	2009-06-04
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	47.781, 54.121, 61.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.600 - 1.020
R-factor	0.13
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MUP-I (PDB CODE 1I06)
RMSD bond length	0.016
RMSD bond angle	2.300
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	1.060
High resolution limit [Å]	1.020	1.020
Rmerge	0.070	0.303
Number of reflections	75259
<I/σ(I)>	19.9	2.2
Completeness [%]	92.0	47.3
Redundancy	6.4

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