8OYE

Clostridium perfringens chitinase CP4_3455 E196Q with chitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	50.486, 111.599, 108.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.950 - 1.350
R-factor	0.1474
Rwork	0.147
R-free	0.16120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.844
Data reduction software	XDS (20220820)
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.950	77.950	1.430
High resolution limit [Å]	1.350	4.050	1.350
Rmeas	0.058	0.053	0.597
Number of reflections	134505	5328	20892
<I/σ(I)>	23.82	51.91	3.4
Completeness [%]	99.3	98.7	96.3
Redundancy	12.01	11.66	6.956
CC(1/2)	0.999	0.996	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	PEGION A1: 0.2 M Sodium fluoride 20% w/v Polyethylene glycol 3,350, 1mM chitin hexamer (seeded)