9NKB
Structure of Candida albicans trehalose-6-phosphate synthase in complex with SJ6675
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 115.051, 115.051, 266.849 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.050 - 3.500 |
| R-factor | 0.2441 |
| Rwork | 0.241 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.680 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.18.2_3874:000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.050 | 3.626 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 13858 | 1326 |
| <I/σ(I)> | 21.77 | |
| Completeness [%] | 99.5 | |
| Redundancy | 11.4 | |
| CC(1/2) | 1.000 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 30% (v/v) PEG 400, 0.2M MgSO4, 2% (v/v) glycerol, 0.1M Tris/HCl pH 8.5 |
