2DQK

Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2006-05-14
Detector	MAR scanner 345 mm plate
Spacegroup name	P 43 21 2
Unit cell lengths	68.313, 68.313, 108.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.740 - 1.930
R-factor	0.1536
Rwork	0.152
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3prk
RMSD bond length	0.008
RMSD bond angle	1.318
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.740	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	19884
Completeness [%]	98.6	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	sodium nitrate, CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K