4HPK

Crystal structure of Clostridium histolyticum colg collagenase collagen-binding domain 3B at 1.35 Angstrom resolution in presence of calcium nitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	93
Detector technology	CCD
Collection date	2002-11-22
Detector	MAR CCD 165 mm
Wavelength(s)	0.98045
Spacegroup name	P 1 21 1
Unit cell lengths	40.866, 59.170, 48.800
Unit cell angles	90.00, 100.77, 90.00

Refinement procedure

Resolution	16.610 - 1.350
R-factor	0.18033
Rwork	0.179
R-free	0.21030
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	1.222
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	16.610	1.830	1.400
High resolution limit [Å]	1.350	1.700	1.350
Number of reflections	50130
Completeness [%]	89.8	4.8	3.2
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	25-27% PEG 3350, 100mM Sodium acetate, 600mM LiCl, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K