4DOQ

Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2005-10-10
Detector	RIGAKU
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	40.535, 118.610, 93.393
Unit cell angles	90.00, 90.74, 90.00

Refinement procedure

Resolution	50.060 - 2.000
R-factor	0.1895
Rwork	0.187
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1avw 2z7f
RMSD bond length	0.018
RMSD bond angle	1.701
Data reduction software	DENZO
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.250	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	57599
Completeness [%]	96.8	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG4000, 0.1M Na-Citrate, 200mM Ammonium Sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K