7ZBV

Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a diphosphonate-based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	60.267, 77.787, 97.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.760 - 1.950
Rwork	0.186
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y6i
RMSD bond length	0.012
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.760	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.037	0.396
Number of reflections	33936	3303
<I/σ(I)>	12.33
Completeness [%]	99.7	99.7
Redundancy	2
CC(1/2)	0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-Bicine pH 8.5,pentaethylene glycol, diethylene glycol, triethylene glycol, tetraethylene glycol, PEG 20,000 and PEG 550 MME