5ML4
The crystal structure of PDE6D in complex to inhibitor-7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-03-06 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.950, 55.950, 115.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.980 - 2.400 |
| R-factor | 0.1886 |
| Rwork | 0.185 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.466 |
| 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] | 27.980 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.161 | 0.850 |
| Number of reflections | 8200 | |
| <I/σ(I)> | 17.1 | 3.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.4 M NaOAc, 0.1 M NaCAC, pH 6.8 |
