5XHW

Crystal structure of HddC from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 43
Unit cell lengths	81.070, 81.070, 52.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.779 - 2.000
R-factor	0.2275
Rwork	0.227
R-free	0.24170
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.298
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.960	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.108	0.126
Number of reflections	52267	3516
<I/σ(I)>	10.8
Completeness [%]	98.4	98.3
Redundancy	6.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	296	0.1M HEPES pH 7.4, 1.8M ammonium sulfate