7QH0

Apo structure of the Leishmania mexicana triose-phosphate isomerase (LmTIM), N11A-E65Q variant, open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979500
Spacegroup name	P 1
Unit cell lengths	38.815, 73.898, 81.080
Unit cell angles	83.12, 89.33, 77.11

Refinement procedure

Resolution	50.530 - 2.150
R-factor	0.2367
Rwork	0.235
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n55
RMSD bond length	0.003
RMSD bond angle	0.516
Data reduction software	DIALS (1.10.4-gc14d9720b-release)
Data scaling software	STARANISO (2.3.52)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.530	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.200	0.632
Rmeas	0.268	0.783
Rpim	0.154	0.455
Number of reflections	46268	3712
<I/σ(I)>	2.6	1.2
Completeness [%]	97.6	96.2
Redundancy	2.6	2.6
CC(1/2)	0.954	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293.15	50 mM Tris-HCl pH 8.0, 22.5% PEG 6000, 0.275 M CaCl2 and 3% v/v tert-butanol