6AIJ

Cyclodextrin glycosyltransferase from Paenibacillus macerans mutant N603D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978910
Spacegroup name	P 65
Unit cell lengths	102.350, 102.350, 115.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.386 - 2.096
R-factor	0.1836
Rwork	0.181
R-free	0.23730
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	48.386
High resolution limit [Å]	2.096
Number of reflections	39832
<I/σ(I)>	2
Completeness [%]	98.9
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 4000, 0.1M Tris-HCl pH 9.0, 0.1M Sodium acetate