5XKX

Crystal structure of WT DddY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	61.063, 72.070, 88.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.023 - 1.500
R-factor	0.1354
Rwork	0.133
R-free	0.18420
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.792
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.100	0.300
Number of reflections	59702
<I/σ(I)>	27.8	7
Completeness [%]	93.5
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M ammonium acetate, 0.1 M Bis-Tris (pH 6.5) and 25% (wt/vol) polyethylene glycol (PEG) 3350