9PCT

Structure of Porcine Trypsin Crystals Grown from PEG Complexed with Crystallization Additives III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2012-06-12
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	58.820, 58.820, 135.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.310 - 1.410
R-factor	0.134
Rwork	0.131
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.332
Data reduction software	d*TREK
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.100	1.460
High resolution limit [Å]	1.410	1.410
Rmerge	0.053	0.270
Number of reflections	36756	800
<I/σ(I)>	13.5	2
Completeness [%]	78.7
Redundancy	3.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Sitting drop vapor diffusion in Cryschem plates with 0.6 ml reservoirs of 30% PEG 3350 buffered at pH 6.5 with 0.1 M HEPES. Drops 3 ul of reservoir, 2 ul of additive mix ( TACSIMATE, glycerol, sucrose, sorbitol), 3 ul of 40 mg/ml stock protein solution buffered at pH 6.5 with 0.1 M HEPES.