6OJM

Crystal structure of 1,4-dihydroxy-2-naphthoyl-CoA synthase 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	2018-04-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 3 2 1
Unit cell lengths	138.490, 138.490, 141.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.876 - 1.600
R-factor	0.1453
Rwork	0.145
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t8a chain A
RMSD bond length	0.007
RMSD bond angle	0.910
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]	43.876	43.876	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.053	0.021	0.500
Rmeas	0.057	0.024	0.545
Number of reflections	204876	2443	14987
<I/σ(I)>	21.94	60.93	3.46
Completeness [%]	99.7	97.4	99.4
Redundancy	6.191	5.691	6.25
CC(1/2)	0.999	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Molecular Dimensions Morpheus screen, C7: 10% (w/v) PEG 4000, 20% (v/v) glycerol, 30mM of each sodium nitrate, disodium hydrogen phosphate, ammonium sulfate: 100mM MOPS/HEPES-Na pH 7.5: ElanA.01530.a.B1.PW38414 at 20.1 mg/ml: cryo: direct: tray 298241c7: puck uya9-1