3JQX

Crystal structure of Clostridium histolyticum colH collagenase collagen binding domain 3 at 2.2 Angstrom resolution in the presence of calcium and cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97937
Spacegroup name	P 21 21 21
Unit cell lengths	61.567, 64.589, 96.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.680 - 2.200
R-factor	0.17941
Rwork	0.176
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o8o ColG-3b collagen binding domain
RMSD bond length	0.022
RMSD bond angle	1.889
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.500
High resolution limit [Å]	2.200	2.200
Number of reflections	18873
<I/σ(I)>	9.6	2.4
Completeness [%]	98.7	97.7
Redundancy	13.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	sodium acetate, CdSO4,CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K