8JSV

Dihydrofolate reductase-like enzyme from Leptospira interrogans (selenomethionine derivative)

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	84.900, 138.329, 236.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 2.550
R-factor	0.193
Rwork	0.191
R-free	0.23450
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.224
Data reduction software	XDS (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]	29.980	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.160	2.081
Rmeas	0.166	2.177
Rpim	0.043	0.549
Number of reflections	175482	68438
<I/σ(I)>	11.7	2.1
Completeness [%]	99.9	100
Redundancy	14.8	15.2
CC(1/2)	0.998	0.724

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