5EBE
Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with 5' CMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 147.654, 147.654, 142.298 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.560 - 3.000 |
| R-factor | 0.25361 |
| Rwork | 0.251 |
| R-free | 0.29481 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ebb |
| Data reduction software | XDS (10.5.8) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.560 | 3.130 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.156 | 0.600 |
| Number of reflections | 36234 | |
| <I/σ(I)> | 6.3 | 1.9 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | Crystal grew in 2.08 M disodium malonate pH 7.2, 0.23 M sodium thiocyanate and 0.01 M TCEP. But soaked at 2.08M disodium malonate pH 5 |
