6BT9

Chitinase ChiA74 from Bacillus thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	85.827, 82.407, 101.570
Unit cell angles	90.00, 108.11, 90.00

Refinement procedure

Resolution	62.760 - 2.260
R-factor	0.2398
Rwork	0.239
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Truncated to A 1itx
RMSD bond length	0.010
RMSD bond angle	1.354
Data reduction software	DIALS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.760	2.310
High resolution limit [Å]	2.260	2.260
Rmerge	0.301	0.488
Rmeas	0.335	0.599
Rpim	0.143	0.332
Number of reflections	63274	4381
<I/σ(I)>	4.4
Completeness [%]	99.9	99.1
Redundancy	5.9	4.9
CC(1/2)	0.874	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	20% (w/v) PEG 6000 100 mM HEPES/ Sodium hydroxide pH 7.0 200 mM Sodium chloride