8Y23

X-ray crystal structure of ALiS4-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	2017-12-20
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	46.918, 86.004, 58.402
Unit cell angles	90.00, 99.17, 90.00

Refinement procedure

Resolution	46.320 - 1.480
R-factor	0.141
Rwork	0.138
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.782
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]	47.890	1.510
High resolution limit [Å]	1.480	1.480
Number of reflections	76085	3763
<I/σ(I)>	9	1.5
Completeness [%]	99.9
Redundancy	4.2
CC(1/2)	0.997	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.0, 20% PEG 1000