4BX5

cis-divalent streptavidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-09
Detector	MARRESEARCH 300MM
Spacegroup name	P 1 21 1
Unit cell lengths	46.220, 84.240, 58.250
Unit cell angles	90.00, 98.81, 90.00

Refinement procedure

Resolution	42.120 - 1.431
R-factor	0.1614
Rwork	0.160
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ry1
RMSD bond length	0.010
RMSD bond angle	1.298
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]	42.120	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.060	0.580
Number of reflections	75108
<I/σ(I)>	11.4	2.21
Completeness [%]	92.6	91.6
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		2.5 % W/V POLYETHYLENE GLYCOL (PEG) 1000, 12.5 % W/V PEG 3350, 12.5 % V/V MPD, 30 MM OF ETHYLENE GLYCOL MIX (DI-ETHYLENEGLYCOL, TRI-ETHYLENEGLYCOL, TETRA-ETHYLENEGLYCOL, PENTA-ETHYLENEGLYCOL) AND 0.1 M MES/IMIDAZOLE PH 6.5, CORRESPONDING TO CONDITION E4 OF THE MORPHEUS SCREEN