8Y29

X-ray crystal structure of ALiS2-Streptavidine complex without cryo-protectant using a high-pressure cryocooling method

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	47.044, 85.983, 58.659
Unit cell angles	90.00, 99.16, 90.00

Refinement procedure

Resolution	46.440 - 1.420
R-factor	0.1454
Rwork	0.143
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.799
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.030	1.450
High resolution limit [Å]	1.420	1.420
Number of reflections	85824	4343
<I/σ(I)>	10.6
Completeness [%]	99.0
Redundancy	4.3
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.0, 20% PEG1,000