5NAL
The crystal structure of inhibitor-15 covalently bound to PDE6D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-08-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.57 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 56.070, 56.070, 115.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.030 - 2.200 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.24350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t5g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.030 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.175 | 0.750 |
| Number of reflections | 10469 | |
| <I/σ(I)> | 8.5 | 2.8 |
| Completeness [%] | 98.6 | 97.3 |
| Redundancy | 5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2 M Na-formate, 0.1 M NaAcanh, pH 4.6 |
