2II2

Crystal Structure of Alpha-11 Giardin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Detector technology	CCD
Collection date	2006-07-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979,0.905
Spacegroup name	P 21 21 21
Unit cell lengths	45.951, 60.954, 119.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.740 - 1.100
R-factor	0.196
Rwork	0.195
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.256
Data reduction software	HKL-2000
Data scaling software	d*TREK (9.2L)
Phasing software	SOLVE (2.09)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.740	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.121	0.482
Total number of observations		76436
Number of reflections	133460
<I/σ(I)>	6.4	2
Completeness [%]	97.2	94.2
Redundancy	9.01	5.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	200mM Lithium Sulfate, 100mM MES pH 6.0, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6	277	200mM Lithium Sulfate, 100mM MES pH 6.0, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6	277	200mM Lithium Sulfate, 100mM MES pH 6.0, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K