5ML2
The crystal structure of PDE6D in complex with inhibitor-3
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 | 2012-09-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97889 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.650, 55.650, 115.340 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.830 - 1.600 |
| R-factor | 0.2035 |
| Rwork | 0.202 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.554 |
| 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] | 27.830 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.063 | 0.440 |
| Number of reflections | 26598 | |
| <I/σ(I)> | 28.8 | 7.5 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 19.1 | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30 % PEG 4000, 0.2 M NaOAc, 0.1 M TRIS-HCL, pH 8.5 |
