3P8F

Crystal Structure of MT-SP1 in complex with SFTI-1

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-10
Wavelength(s)	1.04
Spacegroup name	P 41 21 2
Unit cell lengths	75.862, 75.862, 94.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.794 - 2.000
R-factor	0.1942
Rwork	0.192
R-free	0.24490
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.030	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.076	0.045	0.526
Number of reflections	19001
<I/σ(I)>	7.2
Completeness [%]	98.9	93.7	100
Redundancy	12.1	8.2	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	297	0.1M Tris.HCl pH 8.0, 22% PEG 8K, 20mM CaCl2, vapor diffusion, hanging drop, temperature 297K