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. |