8OTB

Clostridium perfringens chitinase CP4_3455

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	2018-09-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	50.470, 109.030, 111.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.430 - 1.500
R-factor	0.1579
Rwork	0.158
R-free	0.17540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.761
Data reduction software	XDS (20180126)
Data scaling software	XDS
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.430	37.430	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmeas	0.034	0.016	0.625
Number of reflections	97204	1246	5986
<I/σ(I)>	36.29	109.76	3.3
Completeness [%]	97.9	98.7	82.4
Redundancy	9.78	8.94	7.69
CC(1/2)	1.000	1.000	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	0.2 M Sodium bromide, 20% w/v Polyethylene glycol 3,350