3NOG

Designed ankyrin repeat protein (DARPin) Binders to AcrB: Plasticity of the Interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2007-06-25
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	145.400, 158.000, 258.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.776 - 3.340
R-factor	0.2576
Rwork	0.257
R-free	0.30750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8s
RMSD bond length	0.018
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	8.000	3.600
High resolution limit [Å]	3.340	7.000	3.340
Rmerge	0.143	0.047	0.556
Rmeas		0.051	0.604
Number of reflections	86836	3182	17266
<I/σ(I)>	14.98	32.2	3.9
Completeness [%]	99.8	99.8	99.7
Redundancy	6.63	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG4000, (NH4)2SO4, ADA, pH 6.5, vapor diffusion, sitting drop, temperature 293K