8P42

Full length structure of TcMIP with bound inhibitor NJS227.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.967
Spacegroup name	P 41
Unit cell lengths	87.744, 87.744, 57.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.880 - 2.640
R-factor	0.227
Rwork	0.224
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.684
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]	34.900	2.740
High resolution limit [Å]	2.640	2.640
Number of reflections	12330	1225
<I/σ(I)>	13.2
Completeness [%]	94.8
Redundancy	9
CC(1/2)	0.920	0.840

Crystallization Conditions

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