8D5G

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-03-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 64 2 2
Unit cell lengths	101.540, 101.540, 207.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.820 - 2.780
R-factor	0.2084
Rwork	0.206
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vis
RMSD bond length	0.002
RMSD bond angle	0.493
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	2.830
High resolution limit [Å]	2.780	2.780
Rmerge	0.372	1.245
Rpim	0.093	0.425
Number of reflections	16612	808
<I/σ(I)>	8.1	1.46
Completeness [%]	99.9	99.1
Redundancy	16.2	9.5
CC(1/2)		0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	25% (w/v) PEG 5K MME, 0.2 M ammonium sulfate, 0.1M sodium citrate dehydrate pH5.6, 1.2mM 6-hydroxymethyl-7,8-dihydropterin pyrophosphate