8JAT
Crystal structure of the 3-ketodihydrosphingosine reductase TSC10 from Cryptococcus neoformans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-13 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 111.311, 111.311, 80.399 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.800 - 3.200 |
R-factor | 0.21328 |
Rwork | 0.210 |
R-free | 0.28227 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.586 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MrBUMP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 3.420 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.501 | 2.870 |
Rmeas | 0.514 | 2.945 |
Rpim | 0.115 | 0.655 |
Total number of observations | 17959 | |
Number of reflections | 5219 | 913 |
<I/σ(I)> | 6.7 | 1.7 |
Completeness [%] | 100.0 | |
Redundancy | 19.3 | 19.7 |
CC(1/2) | 0.987 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M Potassium sodium tartrate tetrahydrate, 20% w/v Polyethylene glycol 3350 |