5NB6
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-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 | 2008-02-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97810 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.875, 45.063, 63.716 |
| Unit cell angles | 90.00, 117.43, 90.00 |
Refinement procedure
| Resolution | 28.270 - 1.750 |
| Rwork | 0.235 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1HFLF |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.670 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.039 | 0.095 |
| Number of reflections | 22005 | |
| <I/σ(I)> | 21.14 | 10.3 |
| Completeness [%] | 83.2 | 93 |
| Redundancy | 3.16 | 2.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 22% PEG3350, 0.1 M HEPES pH 7.5, 50 mM NaCl |
