7L6P

Crystal structure of dihydropteroate synthase from Stenotrophomonas maltophilia with active site-bound imidazole

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	2019-03-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	62.740, 68.810, 155.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.340 - 2.350
R-factor	0.2014
Rwork	0.198
R-free	0.25270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uur
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19rc4-4035)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.340	41.340	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.049	0.020	0.563
Rmeas	0.055	0.022	0.644
Total number of observations	147717
Number of reflections	28734	365	2085
<I/σ(I)>	18.23	44.02	2.17
Completeness [%]	99.9	95.5	100
Redundancy	5.141	4.312	4.089
CC(1/2)	0.999	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	StmaA.01019.a.B1.PW38739 at 16.2 mg/ml was mixed 1:1 with 0.1 M Tris/Bicine pH 8.5, 0.1 M amino acids, 10% (w/v) PEG4000, and 20% (v/v) glycerol (Morpheus H11). Stored at 14C. Cryo: direct. Tray 314007h11: puck cbg9-2.