3TPK

Crystal structure of the oligomer-specific KW1 antibody fragment

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	CCD
Collection date	2011-05-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	30.921, 38.659, 94.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.870 - 1.300
R-factor	0.143
Rwork	0.141
R-free	0.17610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ln9
RMSD bond length	0.026
RMSD bond angle	2.046
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.240
High resolution limit [Å]	1.210	5.410	1.210
Rmerge	0.031	0.016	0.383
Number of reflections	31606	460	1207
<I/σ(I)>	19.86	57.09	1.85
Completeness [%]	89.3	97.5	46.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	288	200 mM Magnesium Formate, 20%(w/v)PEG 3350, Additive: Benzamidine Hydrochloride 1M , pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 288K