8C53

Trypanosoma brucei IMP dehydrogenase (ori) crystallized in High Five cells reveals native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo; CrystFEL processing

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)	0.987
Spacegroup name	P 4 21 2
Unit cell lengths	206.900, 206.900, 92.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.380 - 2.300
R-factor	0.2087
Rwork	0.208
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jcn
RMSD bond length	0.006
RMSD bond angle	0.727
Data reduction software	CrystFEL (1.10.0)
Data scaling software	CrystFEL (1.9.0)
Phasing software	PHASER (1.19.2_4158-000)
Refinement software	PHENIX (1.19.2_4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.380	2.330
High resolution limit [Å]	2.299	2.299
Number of reflections	89070	5857
<I/σ(I)>	10.06
Completeness [%]	99.9	99.09
Redundancy	3667	1246
CC(1/2)	0.998	0.196

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	crystallized in rBV Tb IMPDH ori (MOI 1) infected High Five cells, in adhesion culture using ESF921 cell culture medium.