9VOO

Engineered endo-1,3-beta-glucanase from Cellulosimicrobium cellulans crystallized at pH 6.2, CcGluECDMH1-E120Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979145
Spacegroup name	P 63
Unit cell lengths	73.821, 73.821, 62.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.930 - 1.760
R-factor	0.16317
Rwork	0.161
R-free	0.20339
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.554
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.931	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.137	0.137
Rmeas		0.074
Number of reflections	18292	638
<I/σ(I)>	10.4	10.4
Completeness [%]	99.9	99.7
Redundancy	4.1
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.6	298	0.2M (NH4)2SO4, 0.1M NaCH3COO PH4.6, 30% w/v PEGME 2,000