5G5V
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-03 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.690, 114.781, 64.009 |
| Unit cell angles | 90.00, 109.40, 90.00 |
Refinement procedure
| Resolution | 88.580 - 1.800 |
| R-factor | 0.17748 |
| Rwork | 0.176 |
| R-free | 0.19872 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i15 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.336 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.580 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.600 |
| Number of reflections | 90889 | |
| <I/σ(I)> | 7.1 | 2.1 |
| Completeness [%] | 97.9 | 97 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG 3350, 0.4 M SODIUM FORMATE, 0.3 M GUANIDINE, 0.1 M MES PH 6.5; VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 4 DEGREES |
