8UWT

A X-ray Crystallographic Structure Model of a Glycoside Hydrolase (GH) Family 39 (GH39)-like Enzyme Encoded within a Xylan Utilization Locus of the pSOL1 Megaplasmid of Clostridium acetobutylicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	105
Detector technology	PIXEL
Collection date	2018-03-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	75.407, 88.245, 106.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.890 - 1.550
R-factor	0.14429
Rwork	0.142
R-free	0.17987
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.539
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.155	0.059	1.530
Rmeas	0.162	0.061	1.720
Rpim	0.047	0.017	0.751
Total number of observations	1062381
Number of reflections	96886	10724	6167
<I/σ(I)>	4.7
Completeness [%]	94.3	99.8	60.6
Redundancy	11	13	3.8
CC(1/2)	0.995	0.999	0.277

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Hampton Research PEGRx HT: Condition 80 (G8): 0.2 M Sodium Formate, 0.1 M BICINE pH 8.5, 20% PEG5000 MME. This condition was extensively refined and the crystal which generated the data for this deposit consisted of the same, but had pH adjusted to 8.3.