8C47

Leishmania ATP-actin monomer in complex with Leishmania profilin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	I 41
Unit cell lengths	171.297, 171.297, 43.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.160 - 2.200
R-factor	0.1949
Rwork	0.193
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	XDS (BUILT 20191211)
Data scaling software	Aimless (0.7.2)
Phasing software	MOLREP (ArpWarp web server V8.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.590	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	1.234
Rpim	0.034	0.472
Number of reflections	32700	2799
<I/σ(I)>	12.3	1.7
Completeness [%]	99.8	99.72
Redundancy	7.7
CC(1/2)	0.998	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Bis-Tris pH 5.5, PEG4000 26% (w/v) and 0.2 M NaCl