5NAW
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.862, 49.444, 39.238 |
| Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
| Resolution | 26.780 - 1.250 |
| R-factor | 0.13035 |
| Rwork | 0.128 |
| R-free | 0.17791 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1TACE |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.521 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.560 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.032 | 0.326 |
| Number of reflections | 55553 | |
| <I/σ(I)> | 17.82 | 2.24 |
| Completeness [%] | 97.7 | 84.5 |
| Redundancy | 2.88 | 1.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 27% PEG 3350 100 mM HEPES pH 7.5 |
