8H2V

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	2021-06-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	82.277, 88.520, 88.540
Unit cell angles	98.41, 110.69, 110.65

Refinement procedure

Resolution	43.440 - 1.680
R-factor	0.1854
Rwork	0.184
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.148
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]	43.440	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.058	0.953
Number of reflections	229962	22646
<I/σ(I)>	13.69	1.31
Completeness [%]	97.0
Redundancy	3.5
CC(1/2)	0.999	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	10 mg/ml protein solution was mixed 1:11 with an optimized solution consisting of 100 mM pH 5.0 sodium acetate, 12% PEG4000, and 5% glycerol with streak seeding