4BX6

trans-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	2012-10-07
Detector	MARRESEARCH MX-300
Spacegroup name	P 1 21 1
Unit cell lengths	47.040, 65.120, 81.590
Unit cell angles	90.00, 95.94, 90.00

Refinement procedure

Resolution	24.981 - 1.595
R-factor	0.1652
Rwork	0.164
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ry1
RMSD bond length	0.011
RMSD bond angle	1.276
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]	24.980	1.650
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.640
Number of reflections	64074
<I/σ(I)>	13.88	1.92
Completeness [%]	98.0	97.3
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	65% V/V 2-METHYL-2, 4-PENTANEDIOL (MPD), 0.1 M 2-(N-MORPHOLINO)ETHANESULFONIC ACID (MES) PH 6.0. CRYSTALS WERE OBTAINED BY THE SITTING-DROP VAPOR-DIFFUSION METHOD AT 291 K AND REACHED A MAXIMUM SIZE AFTER 10 DAYS AND WERE HARVESTED SOON AFTER