6JQ8

Crystal structure of HddC from Yersinia pseudotuberculosis complexed with GMP-PN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97928
Spacegroup name	P 43
Unit cell lengths	80.526, 80.526, 53.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.319 - 1.546
R-factor	0.2076
Rwork	0.207
R-free	0.22880
RMSD bond length	0.006
RMSD bond angle	0.899
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.320
High resolution limit [Å]	1.546	1.546
Number of reflections	49164
<I/σ(I)>	43.89
Completeness [%]	96.2
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.05M HEPES pH 7.5, 0.05M MgCl2, 1.2M Sodium Citrate