1UTK

Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	71.430, 83.260, 30.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.530
R-factor	0.1774
R-free	0.22910
Structure solution method	OTHER
RMSD bond length	0.009
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	8.000
High resolution limit [Å]	1.530
Rmerge	0.075
Number of reflections	28246
<I/σ(I)>	2.6
Completeness [%]	99.5
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.00