6UCZ

Crystal structure of dihydropteroate synthase from Anaplasma phagocytophilum with bound 6-hydroxymethylpterin-monophosphate

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	2019-07-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	48.830, 81.480, 71.170
Unit cell angles	90.00, 102.67, 90.00

Refinement procedure

Resolution	38.750 - 2.000
R-factor	0.1639
Rwork	0.162
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6omz
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]	38.750	38.750	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.045	0.016	0.342
Rmeas	0.052	0.019	0.425
Total number of observations	132591
Number of reflections	36233	433	2290
<I/σ(I)>	19.42	56.95	2.91
Completeness [%]	98.2	97.7	84.1
Redundancy	3.659	3.51	2.715
CC(1/2)	0.999	0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	290	1:1 20 mg/mL AnphA.01019.a.A1.PW27052 in 2.5 mM Ptp, 100 mM sodium cacodylate/HCl, pH 6.5, 20% w/v PEG8000, 200 mM magnesium acetate against 100 mM sodium citrate tribasic/HCl, pH 5.5, 20% w/v PEG3000, cryoprotectant: 20% ethylene glycol, 2.5 mM Ptp, tray 311087h9, puck tni6-6