8JSY

Dihydrofolate reductase-like enzyme from Leptospira interrogans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99999
Spacegroup name	P 2 21 21
Unit cell lengths	85.242, 137.357, 236.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 2.550
R-factor	0.1991
Rwork	0.197
R-free	0.24740
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.231
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]	29.900	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.056	0.691
Rmeas	0.061	0.807
Rpim	0.025	0.411
Number of reflections	91312	4479
<I/σ(I)>	17.5	2.1
Completeness [%]	99.8	99.9
Redundancy	5.7
CC(1/2)	0.998	0.688

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