5AQ7

DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	79.040, 156.240, 68.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.488 - 2.100
R-factor	0.1919
Rwork	0.190
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3DTM AND 1SVX CHAIN A
RMSD bond length	0.003
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.490	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.140
Number of reflections	50274
<I/σ(I)>	15.59	1.36
Completeness [%]	99.9	99.3
Redundancy	12	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		PEG3350 20.0% W/V, SODIUM MALONATE 0.2 M, BIS TRIS PROPANE 0.1M, PH 7.5