9SVM

Structure of dihydrofolate reductase from Burkholderia thailandensis complexed with trimethoprim and dihydrofolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.12713
Spacegroup name	C 1 2 1
Unit cell lengths	42.670, 80.340, 60.080
Unit cell angles	90.00, 104.98, 90.00

Refinement procedure

Resolution	36.670 - 1.840
R-factor	0.2104
Rwork	0.209
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.700	1.960
High resolution limit [Å]	1.840	1.840
Number of reflections	16730	2582
<I/σ(I)>	10.09
Completeness [%]	97.8	93.5
Redundancy	5.4
CC(1/2)	0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		279	30% PEG 800; 0.2 M Ammunium sulfate