2HD4

Crystal structure of proteinase K inhibited by a lactoferrin octapeptide Gly-Asp-Glu-Gln-Gly-Glu-Asn-Lys at 2.15 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2006-05-05
Detector	MARRESEARCH
Wavelength(s)	1.5414
Spacegroup name	P 43 21 2
Unit cell lengths	68.366, 68.366, 108.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.17242
Rwork	0.171
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p7v
RMSD bond length	0.009
RMSD bond angle	1.125
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	14558
<I/σ(I)>	7.1	2.1
Completeness [%]	99.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.2M Ammonium acetate, 0.1M Sodium acetate hydrate, 30% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K