3HG0

Crystal structure of a DARPin in complex with ORF49 from Lactococcal phage TP901-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-18
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	46.650, 80.440, 182.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.100
R-factor	0.209
Rwork	0.208
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2JAB AND 2FOC
RMSD bond length	0.014
RMSD bond angle	1.676
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.4_56))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890	2.300
High resolution limit [Å]	2.100	2.100
Rmerge	0.065	0.502
Number of reflections	39881
<I/σ(I)>	12.43	2.48
Completeness [%]	97.0	91.8
Redundancy	3.58	3.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	293	40 mM Tris, 20 mM Bis-Tris-Propane, 25% PEG 2000 MME, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K