8JT1

COLLAGENASE FROM GRIMONTIA (VIBRIO) HOLLISAE 1706B COMPLEXED WITH GLY-PRO-HYP-GLY-PRO-HYP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	178.017, 74.890, 135.134
Unit cell angles	90.00, 126.02, 90.00

Refinement procedure

Resolution	37.440 - 2.000
R-factor	0.1778
Rwork	0.176
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.786
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS (Jan 10, 2022)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.440	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.662
Rmeas	0.093	0.762
Number of reflections	96513	15381
<I/σ(I)>	12.5	2.24
Completeness [%]	99.3	98.7
Redundancy	3.85	3.96
CC(1/2)	0.898	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M CALCIUM ACETATE, 0.1M MES SODIUM HYDROXIDE PH 6.0, 20% (W/V) POLYETHYLENE GLYCOL 8000