6L6O

Crystal structure of stabilized Rab5a GTPase domain 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	2019-05-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	58.018, 58.018, 103.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.420 - 1.800
R-factor	0.1669
Rwork	0.165
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hei
RMSD bond length	0.017
RMSD bond angle	2.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.057	0.027	0.748
Rmeas	0.059	0.027	0.784
Rpim	0.015	0.007	0.223
Total number of observations	287720
Number of reflections	19056	2068	1701
<I/σ(I)>	16
Completeness [%]	98.9	99.5	89.7
Redundancy	15.1	17	8.8
CC(1/2)		1.000	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	200mM Ammonium Acetate, 100mM Tris HCl, pH 8.5 15% PEG 3350