5ML3
The crystal structure of PDE6D in complex to Deltasonamide1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 56.010, 56.010, 115.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.700 - 1.400 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.665 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.075 | 0.640 |
| Number of reflections | 39854 | |
| <I/σ(I)> | 16.5 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M NaOAc, 0.1 M Na3Cit, pH 5.5, 10 % PEG 4000 |
