4MVI

Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide Abeta(1-40)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	48.950, 58.930, 61.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.460 - 1.700
R-factor	0.1687
Rwork	0.169
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mvk
RMSD bond length	0.020
RMSD bond angle	1.960
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.460	29.465	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.024	0.245
Total number of observations		4259	19855
Number of reflections	20073
<I/σ(I)>	20.3	25.5	3.1
Completeness [%]	99.9	97.1	99.9
Redundancy	6.9	6.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	293	30 % (w/v) PEG 4000, 100 mM sodium acetate, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K