8H2W

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	2021-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	83.208, 88.778, 88.761
Unit cell angles	98.58, 110.55, 110.56

Refinement procedure

Resolution	43.820 - 1.210
R-factor	0.1438
Rwork	0.143
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.088
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]	43.820	1.253
High resolution limit [Å]	1.210	1.210
Rmerge	0.045	1.682
Rpim	0.018	0.670
Number of reflections	611147	58904
<I/σ(I)>	23.95	1.39
Completeness [%]	94.3	89.89
Redundancy	7	7.2
CC(1/2)	1.000	0.736

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