4AFH

Capitella teleta AChBP in complex with lobeline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	78.637, 110.975, 134.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.352 - 1.880
R-factor	0.172
Rwork	0.170
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uz6
RMSD bond length	0.009
RMSD bond angle	1.161
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.350	1.980
High resolution limit [Å]	1.880	1.880
Rmerge	0.068	0.528
Number of reflections	93581
<I/σ(I)>	10.1	1.4
Completeness [%]	97.4	82.4
Redundancy	4.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			0.2 M imidazole-malate at pH 5.5, 33% (vol/vol) PEG 600, and (vol/vol) 3% glycerol