8CMX
Structure of sphingosine-1-phosphate lyase (SPL) from Aspergillus fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 130.070, 130.070, 234.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.020 - 3.460 |
| R-factor | 0.28465 |
| Rwork | 0.284 |
| R-free | 0.29551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.500 | 3.740 |
| High resolution limit [Å] | 3.460 | 3.460 |
| Rmerge | 0.317 | |
| Number of reflections | 12600 | 631 |
| <I/σ(I)> | 15.1 | 1.5 |
| Completeness [%] | 95.1 | 71.9 |
| Redundancy | 36.7 | 39 |
| CC(1/2) | 0.998 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.1M Hepes sodium pH 7.5 1.4 M Sodium citrate tribasic dihydrate DMSO 1% Cryoprotection = mother liquor + 20% Glycerol AfuSPL = 93 microM |
