6YCP

Crystal structure of GcoA F169V bound to o-vanillin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97955
Spacegroup name	P 43 21 2
Unit cell lengths	104.193, 104.193, 115.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 1.800
R-factor	0.1628
Rwork	0.162
R-free	0.18310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncb
RMSD bond length	0.010
RMSD bond angle	1.136
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]	47.480	1.864
High resolution limit [Å]	1.799	1.799
Rmerge		0.138
Number of reflections	59357	5809
<I/σ(I)>	28.19	5.06
Completeness [%]	99.8
Redundancy	2
CC(1/2)	1.000	0.947

Crystallization Conditions

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