8OHA

Crystal structure of Leptospira interrogans GAPDH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	79.804, 82.039, 123.182
Unit cell angles	94.02, 95.15, 112.52

Refinement procedure

Resolution	45.500 - 2.370
R-factor	0.1916
Rwork	0.191
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.225
Data reduction software	XDS (20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.21rc1_4903: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.455
High resolution limit [Å]	2.370	2.370
Rmerge	0.108	1.285
Rmeas	0.126	1.498
Rpim	0.065	0.765
Number of reflections	110035	10363
<I/σ(I)>	8.1
Completeness [%]	94.8	89.71
Redundancy	3.6	3.7
CC(1/2)	0.996	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Bis-Tris buffer, PEG 3350