4QAF

Crystal structure of an engineered lipocalin (Anticalin) in complex with VEGF(8-109)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2009-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 32 2 1
Unit cell lengths	88.210, 88.210, 103.421
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.470 - 1.800
R-factor	0.2053
Rwork	0.203
R-free	0.24210
Structure solution method	SAD, MOLECULAR REPLACEMENT
Starting model (for MR)	1bj1
RMSD bond length	0.021
RMSD bond angle	2.214
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.041	0.028	0.426
Number of reflections	43539	505	3189
<I/σ(I)>	23.88	48.48	3.95
Completeness [%]	99.8	91	99.9
Redundancy	5.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	1 M sodium chloride, 0.2 M lithium sulfate, 7.5% w/v dextran sulfate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K