3KFG

Major mouse urinary protein IV complexed with 2-heptanone

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	47.697, 53.743, 60.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.430
R-factor	0.165
Rwork	0.163
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MUP-I (PDB ENTRY 1I06)
RMSD bond length	0.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.099	0.299
Number of reflections	28552
<I/σ(I)>	14.4	2.4
Completeness [%]	96.0	91.9
Redundancy	3.5

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