9PDC

Porcine Trypsin grown from PEG and Complexed with Crystallization Additives II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2012-06-09
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	47.040, 54.010, 77.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.290 - 1.270
R-factor	0.1223
Rwork	0.121
R-free	0.15410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.092
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]	26.100	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.043	0.410
Number of reflections	44379	800
<I/σ(I)>	15.9	1.6
Completeness [%]	78.6
Redundancy	3.19

Crystallization Conditions

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