5ML6
The crystal structure of PDE6D in complex to inhibitor-8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-05-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.760, 55.760, 114.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.880 - 1.870 |
| R-factor | 0.2053 |
| Rwork | 0.203 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.354 |
| 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] | 27.880 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.091 | 0.340 |
| Number of reflections | 16799 | |
| <I/σ(I)> | 15.6 | 5.2 |
| Completeness [%] | 99.6 | 94.5 |
| Redundancy | 8.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M NaOAc, pH 4.6, 30 % PEG 4000, 0.2 M (NH4)2SO4 |
