8OVR

Clostridium perfringens chitinase CP56_3454 apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	C 1 2 1
Unit cell lengths	192.876, 59.803, 68.707
Unit cell angles	90.00, 108.18, 90.00

Refinement procedure

Resolution	45.090 - 1.600
R-factor	0.1538
Rwork	0.153
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.116
Data reduction software	XDS (20180126)
Data scaling software	XDS
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.280	65.280	1.690
High resolution limit [Å]	1.600	4.780	1.600
Rmeas	0.072	0.040	0.920
Number of reflections	98121	3796	15492
<I/σ(I)>	15.08	44.82	1.73
Completeness [%]	99.5	99.2	98
Redundancy	6.12	6.126	6.045
CC(1/2)	0.999	0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	BCS E7: 0.1 M MgFormate 0.1 M RbCl 0.1 M PIPES pH 7 25% PEG Smear High