8Y2B

X-ray crystal structure of ALiS2-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	2018-02-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	47.116, 86.041, 57.917
Unit cell angles	90.00, 98.94, 90.00

Refinement procedure

Resolution	31.590 - 1.500
R-factor	0.1347
Rwork	0.132
R-free	0.17950
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]	47.640	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	72852	3636
<I/σ(I)>	8.1
Completeness [%]	99.9
Redundancy	4.2
CC(1/2)	0.998	0.803

Crystallization Conditions

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