8JT0

Dihydrofolate reductase-like enzyme from Leptospira interrogans with additional NADP+

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	2020-08-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 2 21 21
Unit cell lengths	85.232, 138.280, 236.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 2.200
R-factor	0.2079
Rwork	0.206
R-free	0.24700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.116
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20191211)
Data scaling software	Aimless (0.7.3)
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.960	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.880
Rmeas	0.090	0.944
Rpim	0.033	0.341
Number of reflections	142065	6985
<I/σ(I)>	13.7	2.4
Completeness [%]	99.8
Redundancy	7.5
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	289	100 mM sodium acetate, 200 mM ammonium sulfate, 25-27% PEG 550 MME