5ML8
The crystal structure of PDE6D in complex to inhibitor-4
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 | 2014-07-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 56.150, 56.150, 115.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.070 - 2.600 |
| R-factor | 0.2064 |
| Rwork | 0.204 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.389 |
| 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] | 28.070 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.140 | 0.760 |
| Number of reflections | 6541 | |
| <I/σ(I)> | 20.04 | 4.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19 | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20 % PEG 3350, 0.2 M Na2SO4 |
