9GV3
Crystal structure of the complex between Nb474 mutant R53A,D125A and Trypanosoma congolense fructose-1,6-bisphosphate aldolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.6702 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 203.495, 111.166, 123.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.558 - 1.751 |
| Rwork | 0.160 |
| R-free | 0.18820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.224 |
| Data reduction software | xia2 |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.558 | 1.915 |
| High resolution limit [Å] | 1.750 | 1.751 |
| Rmerge | 0.117 | 1.058 |
| Rmeas | 0.135 | |
| Rpim | 0.055 | 0.525 |
| Number of reflections | 999301 | 43767 |
| <I/σ(I)> | 9.2 | 1.6 |
| Completeness [%] | 87.6 | 64.8 |
| Redundancy | 5.1 | 4.4 |
| CC(1/2) | 0.998 | 0.533 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | sodium cacodylate pH 6.5, 100mM, PEG 8K 10-15%, 200mM magnesium acetate. |
