3SEX

Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	60.560, 67.500, 191.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.659 - 1.950
R-factor	0.1923
Rwork	0.190
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.021
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.659		2.050
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.144	0.040	0.385
Number of reflections	56472	1157	6753
<I/σ(I)>	10.09	29.45	2.28
Completeness [%]	96.2	99.1	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	0.2M SODIUM IODIDE, 2.2M AMMONIUM SULFATE, pH 8.0, vapor diffusion, hanging drop, temperature 290K