3P8G

Crystal Structure of MT-SP1 in complex with benzamidine

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	2008-01-30
Wavelength(s)	1.04
Spacegroup name	C 2 2 2
Unit cell lengths	66.888, 141.701, 51.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.200
R-factor	0.1446
Rwork	0.143
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eax
RMSD bond length	0.023
RMSD bond angle	2.140
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.890	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.106	0.072	0.485
Number of reflections	70901
<I/σ(I)>	5.2
Completeness [%]	91.6	81.9	94.6
Redundancy	5.7	6.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	297	0.1M Tris.HCl, pH 8.0, 1.5M ammonium sulfate, 3% ethanol, vapor diffusion, hanging drop, temperature 297K