6FUG
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
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 | 2010-06-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.523, 68.482, 73.380 |
| Unit cell angles | 95.21, 116.70, 102.43 |
Refinement procedure
| Resolution | 46.110 - 2.210 |
| R-factor | 0.22316 |
| Rwork | 0.221 |
| R-free | 0.25905 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.671 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.800 | 2.280 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.237 | |
| Number of reflections | 52329 | |
| <I/σ(I)> | 13.3 | 3.33 |
| Completeness [%] | 94.3 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 100 mM TRIS pH 8.5 |
