8P3D

Full length structure of TcMIP with bound inhibitor NJS224.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	46.858, 34.696, 53.081
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	46.770 - 1.710
R-factor	0.1833
Rwork	0.182
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.770	1.770
High resolution limit [Å]	1.710	1.710
Number of reflections	18060	1811
<I/σ(I)>	9.5
Completeness [%]	96.6
Redundancy	7.7
CC(1/2)	0.910	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	5 mM Tris pH 7.5 150 mM NaCl PEG2000 12 %