6YCT

Crystal structure of GcoA F169A_T296S bound to p-vanillin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 43 21 2
Unit cell lengths	104.070, 104.070, 115.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 2.390
R-factor	0.16
Rwork	0.158
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncb
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	2.480
High resolution limit [Å]	2.390	2.390
Rmerge	0.021	0.126
Number of reflections	25466	2445
<I/σ(I)>	25.64	6.03
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Na Malonate, HEPES, p-vanillin