8JQU

Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-05-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	110.552, 42.266, 37.777
Unit cell angles	90.00, 103.39, 90.00

Refinement procedure

Resolution	27.354 - 1.798
Rwork	0.162
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.130
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	3.880	1.860
High resolution limit [Å]	1.798	3.080	1.800
Rmerge		0.040	0.220
Rmeas	0.054	0.043	0.242
Rpim		0.017	0.100
Number of reflections	15882	1610	1532
<I/σ(I)>	25
Completeness [%]	99.7	100	97.7
Redundancy	6.6	6.8	5.6
CC(1/2)		0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2M Magnesium Acetate, 0.1M Tris-HCl pH 8.5, 19% PEG 8K