6FUH
Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine
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 | 2008-01-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.516, 49.321, 39.198 |
| Unit cell angles | 90.00, 106.16, 90.00 |
Refinement procedure
| Resolution | 25.340 - 1.370 |
| R-factor | 0.13626 |
| Rwork | 0.134 |
| R-free | 0.17962 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.652 |
| 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] | 26.660 | 1.420 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Number of reflections | 40221 | |
| <I/σ(I)> | 14.11 | |
| Completeness [%] | 93.7 | |
| Redundancy | 2.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 100 mM TRIS pH 8.5, 200 mM NH4SO2, 2 mM inhibitor |
