6FUI
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 | 2008-06-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.508, 50.064, 39.264 |
| Unit cell angles | 90.00, 106.09, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.380 |
| R-factor | 0.13558 |
| Rwork | 0.132 |
| R-free | 0.19780 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.717 |
| 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] | 30.120 | 1.420 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.321 | |
| Number of reflections | 41680 | |
| <I/σ(I)> | 15.54 | 2.61 |
| Completeness [%] | 97.6 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22-25% PEG3350, 100 mM HEPES pH 7.5 |
