6UZI

Crystal structure of Dihydrolipoyl dehydrogenase from Elizabethkingia anophelis NUHP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	74.060, 106.800, 255.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.250 - 2.800
R-factor	0.1713
Rwork	0.169
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3urh as per Morda
RMSD bond length	0.004
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17.1 -3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.250	45.250	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge	0.088	0.028	0.630
Rmeas	0.096	0.031	0.687
Total number of observations	313757
Number of reflections	50364	622	3695
<I/σ(I)>	17	44.46	2.84
Completeness [%]	98.9	93.1	99.8
Redundancy	6.23	5.186	6.284
CC(1/2)	0.998	0.998	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Rigaku Reagents JCSG+ screen, condition B2: 20% w/V PEG 3350, 200mM sodium thiocyanate: ElanA.01412.a.B1.PS38371 at 19.1 mg/ml. Cryo: 25% EG: tray 296479b2: puck CEB1-4.