5NAR
Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(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 | 2008-01-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.802, 44.516, 63.744 |
| Unit cell angles | 90.00, 117.69, 90.00 |
Refinement procedure
| Resolution | 35.580 - 1.550 |
| R-factor | 0.15891 |
| Rwork | 0.155 |
| R-free | 0.23101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1HFLF |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.457 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.440 | 1.420 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.085 | 0.392 |
| Number of reflections | 40131 | |
| <I/σ(I)> | 9.9 | 2.93 |
| Completeness [%] | 98.3 | 90 |
| Redundancy | 3.49 | 2.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | MM NACL, 0.5MM NVP-BVT244-NX-1 + 1 UL RESERVOIR SOLUTION |
