5GXP

Cationic Trypsin With GOL/PGE as Dimer at pH 4.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	60.840, 102.590, 115.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.048 - 2.800
R-factor	0.2786
Rwork	0.275
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i8h
RMSD bond length	0.003
RMSD bond angle	0.830
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.070	2.880
High resolution limit [Å]	2.800	2.800
Rmerge		0.088
Number of reflections	18295
<I/σ(I)>	26	20
Completeness [%]	99.0	97.7
Redundancy	20	11.8
CC(1/2)		0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1 M Calcium chloride dihydrate, 0.1 M Sodium acetate pH 4.6, 30% Glycerol, 15% Ethylene glycol