3BN9

Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-12
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	48.625, 163.279, 201.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.640 - 2.173
R-factor	0.226
Rwork	0.223
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eax 2hff
RMSD bond length	0.020
RMSD bond angle	1.448
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.640	2.300
High resolution limit [Å]	2.173	2.173
Rmerge	0.091	0.569
Number of reflections	74972
<I/σ(I)>	7.5	1.7
Completeness [%]	89.4	77.4
Redundancy	3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	16% PEG 5000 MME, 0.21M AmSO4, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K