9VMV

Engineered endo-1,3-beta-glucanase from Cellulosimicrobium cellulans in complex with a glucose disaccharide at pH4.6,CcGluECDMH1+DP2

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	73.454, 73.454, 62.581
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.610 - 1.330
R-factor	0.15572
Rwork	0.154
R-free	0.18179
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.817
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.610	1.400
High resolution limit [Å]	1.330	1.330
Rmerge	0.052	0.386
Rmeas	0.055	0.465
Rpim	0.016	0.253
Number of reflections	42561	6062
<I/σ(I)>	23.1	3
Completeness [%]	95.6	93.8
Redundancy	9.4	2.9
CC(1/2)	0.999	0.798

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