2XTT

Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-30
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	36.910, 63.610, 43.870
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	10.000 - 0.930
R-free	0.13970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k1j
RMSD bond length	0.018
RMSD bond angle	0.034
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	0.980
High resolution limit [Å]	0.930	0.930
Rmerge	0.040	0.340
Number of reflections	135272
<I/σ(I)>	17.9	2.2
Completeness [%]	91.3	54
Redundancy	3.4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		EQUAL AMOUNT OF PROTEIN SOLUTION (9.1 MG/ML PROTEIN COMPLEX IN 0.5 MM MES PH 6.0 BUFFER) AND PRECIPITANT SOLUTION (30% PEG 4000, 0.3 M AMMONIUM ACETATE, 0.1 M NA-ACETATE PH 4.6) WERE MIXED AND EQUILIBRATED AGAINST 0.5 ML PRECIPITANT SOLUTION.