6QMR
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
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 | 2013-01-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.151, 66.613, 76.377 |
| Unit cell angles | 83.69, 64.36, 74.65 |
Refinement procedure
| Resolution | 49.230 - 2.000 |
| R-factor | 0.2216 |
| Rwork | 0.220 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dsu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.904 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.900 | 1.630 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.072 | 0.837 |
| Rmeas | 0.102 | 1.180 |
| Number of reflections | 142642 | 21044 |
| <I/σ(I)> | 5.82 | 0.7 |
| Completeness [%] | 84.5 | 77.2 |
| Redundancy | 1.73 | 1.59 |
| CC(1/2) | 0.996 | 0.381 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG MME 2000, 0.1M sodium thiocyanate |
