8H2K

Cellodextrin phosphorylase from Clostridium thermocellum mutant - all cysteine residues were substituted with serines

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]	95
Detector technology	PIXEL
Collection date	2021-03-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	83.441, 89.048, 88.989
Unit cell angles	98.88, 110.55, 110.67

Refinement procedure

Resolution	43.760 - 1.370
R-factor	0.1758
Rwork	0.174
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.760	1.419
High resolution limit [Å]	1.370	1.370
Rmerge	0.055	1.037
Rpim	0.035	0.611
Number of reflections	418204	41686
<I/σ(I)>	12.99	1.21
Completeness [%]	93.5	93.26
Redundancy	3.4	3.4
CC(1/2)	0.998	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	10 mg/ml protein solution was mixed 1:1 with an optimized solution consisting of 100 mM pH 5.0 sodium acetate, 12% PEG4000, and 5% glycerol with streak seeding