8WA8
Human transketolase in complex with phosphite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-06 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.500, 86.400, 73.400 |
| Unit cell angles | 90.00, 125.50, 90.00 |
Refinement procedure
| Resolution | 24.570 - 1.480 |
| R-factor | 0.1348 |
| Rwork | 0.133 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.750 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.600 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 94537 | 19699 |
| <I/σ(I)> | 28.14 | |
| Completeness [%] | 97.4 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 277 | 13.5-15% PEG 6000 (w/v), 4% PEG 400 (v/v), 2% glycerol (v/v) |
