8C51

Trypanosoma brucei IMP dehydrogenase (cyto) crystallized in High Five cells revealing native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-26
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.976
Spacegroup name	P 4 21 2
Unit cell lengths	205.750, 205.750, 92.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.740 - 2.400
R-factor	0.2254
Rwork	0.225
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jcn
RMSD bond length	0.003
RMSD bond angle	0.624
Data reduction software	CrystFEL (CrystFEL 0.10.1)
Data scaling software	CrystFEL (CrystFEL 0.9.1)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.820	2.456
High resolution limit [Å]	2.399	2.399
Number of reflections	77541	5119
<I/σ(I)>	10.06	1.809
Completeness [%]	99.9	99.32
Redundancy	1797	1018
CC(1/2)	0.997	0.233

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	in cellulo rBV IMPDH cyto (MOI 1) infected High Five cells, adhesion culture.