3SEY

Zn-mediated Polymer 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	2010-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	100.660, 63.650, 221.830
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	49.094 - 1.850
R-factor	0.2104
Rwork	0.208
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.048
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]	99.760		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.085	0.047	0.537
Number of reflections	119829	2603	16444
<I/σ(I)>	11.04	22.2	2.32
Completeness [%]	99.3	98.9	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	0.1M MES, 0.2M ZINC ACETATE, 10% (W/V) PEG 8000, pH 8.0, vapor diffusion, hanging drop, temperature 290K