8CTM

Crystal structure of the nucleoside hydrolase from Leishmania donovani.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	80.221, 79.111, 107.621
Unit cell angles	90.00, 90.77, 90.00

Refinement procedure

Resolution	25.870 - 1.730
R-factor	0.1756
Rwork	0.174
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezr
RMSD bond length	0.013
RMSD bond angle	1.325
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.093	0.397
Rpim	0.057	0.264
Number of reflections	263968	6560
<I/σ(I)>	23.5	2.8
Completeness [%]	94.1	93.4
Redundancy	3.4
CC(1/2)	0.970	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	15% PEG 3350 0.1 M MES saturated hypoxanthine