9CME

Room Temperature Crystal Structure of Collagenase ColH from Hathewaya histolytica at 2.7 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	297
Detector technology	PIXEL
Collection date	2023-03-01
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	44.075, 125.961, 131.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.290 - 2.700
R-factor	0.2343
Rwork	0.231
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.290	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.224
Rpim	0.111
Number of reflections	118655	2722
<I/σ(I)>	6.4
Completeness [%]	99.5
Redundancy	5.7
CC(1/2)	0.962	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.1 M Bis-Tris pH 6.5 buffer containing 0.2 M magnesium chloride hexahydrate salt and 25% w/v polyethylene glycol (PEG) 3,350