8D5H

Crystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured bacterium in complex with 6-hydroxymethyl-7,8-dihydropterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 64 2 2
Unit cell lengths	101.781, 101.781, 207.212
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.850 - 1.720
R-factor	0.1545
Rwork	0.154
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vis
RMSD bond length	0.014
RMSD bond angle	1.197
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.116	1.398
Rpim	0.021	0.267
Number of reflections	68078	3352
<I/σ(I)>	28	2.5
Completeness [%]	100.0	100
Redundancy	30.5	27.8
CC(1/2)		0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	25% (w/v) PEG 5K MME, 0.2 M ammonium sulfate, 0.1 M sodium citrate pH 5.6, 1 mM 6-hydroxymethyl-7,8-dihydropterin pyrophosphate