9PD9

The Structure of Porcine Trypsin in Complex with Crystallization Additives I

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2012-06-06
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	59.000, 59.000, 139.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.250 - 1.280
R-factor	0.1165
Rwork	0.113
R-free	0.14660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.192
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]	25.900	1.330
High resolution limit [Å]	1.280	1.280
Rmerge	0.054	0.375
Number of reflections	58890	800
<I/σ(I)>	16.5	1.8
Completeness [%]	91.5
Redundancy	5.78

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. Drops 3.0 ul of reservoir, plus 2 ul additives oxalic acid, sulfanilic acid, 4-amino benzoic acid mix, plus 3.0 ul of 40 mg/ml stock protein solution of 0.1 M HEPES at pH 6.5.