6AN0

Crystal Structure of Histidinol Dehydrogenase from Elizabethkingia anophelis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	82.520, 170.080, 65.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.449 - 1.850
R-factor	0.1588
Rwork	0.157
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k75
RMSD bond length	0.006
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.449	31.449	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.054	0.027	0.536
Rmeas	0.059	0.030	0.589
Total number of observations	218830
Number of reflections	39779	470	2911
<I/σ(I)>	17.95	37.46	3.07
Completeness [%]	99.4	92	100
Redundancy	5.501	4.802	5.575
CC(1/2)	0.999	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	1:1 21.3 mg/mL ElanA.18181.a.B1.PW3826 to MCSG1(e7) (20% w/v PEG3350, 0.2 M ammonium iodide, cryoprotection: 20% ethylene glycol, Tray 292598e7, puck ffs7-3