5NAT
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-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 | PIXEL |
| Collection date | 2009-07-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.438, 49.676, 55.562 |
| Unit cell angles | 90.00, 106.02, 90.00 |
Refinement procedure
| Resolution | 37.900 - 1.170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNX |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.420 | 1.220 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.042 | 0.241 |
| Number of reflections | 64856 | |
| <I/σ(I)> | 15.21 | 3.6 |
| Completeness [%] | 94.0 | 73.9 |
| Redundancy | 3.19 | 1.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | MM NACL + 1 UL RESERVOIR SOLUTION |
