8X8K

Crystal structure of STBD1 CBM20 domain in complex with maltotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97903
Spacegroup name	P 32 2 1
Unit cell lengths	74.879, 74.879, 163.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.660 - 2.100
R-factor	0.1885
Rwork	0.186
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.009
RMSD bond angle	1.146
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	PHENIX
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.574	2.206
High resolution limit [Å]	2.100	2.168
Rmerge	0.113	0.780
Number of reflections	67178	1398
<I/σ(I)>	12.7
Completeness [%]	100.0
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.09 M Halogens (0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide), 0.1 M Buffer System 1 (Imidazole; MES (acid) pH 6.5), 37.5% v/v Precipitant Mix 4 (25% v/v MPD (racemic); 25% PEG 1000; 25% w/v PEG 3350)