7SF4

M. tb EgtD in complex with imatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	68.980, 71.131, 144.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.700 - 2.390
R-factor	0.2237
Rwork	0.221
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uy5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.700	2.450
High resolution limit [Å]	2.390	2.390
Number of reflections	28869	690
<I/σ(I)>	10
Completeness [%]	96.8
Redundancy	1
CC(1/2)	0.950	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.2 M potassium phosphate dibasic and 20 % w/v polyethylene glycol 3,350