8Y25

X-ray crystal structure of ALiS4-Streptavidine complex with 20% glycerol 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	47.071, 85.008, 58.441
Unit cell angles	90.00, 99.04, 90.00

Refinement procedure

Resolution	46.486 - 1.450
R-factor	0.1416
Rwork	0.139
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.789
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	1.470
High resolution limit [Å]	1.450	1.450
Number of reflections	78936	3871
<I/σ(I)>	9
Completeness [%]	98.3
Redundancy	4.3
CC(1/2)	0.998	0.748

Crystallization Conditions

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