5NBA
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-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 | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-06-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54719 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.437, 49.727, 39.026 |
| Unit cell angles | 90.00, 106.82, 90.00 |
Refinement procedure
| Resolution | 53.070 - 1.870 |
| R-factor | 0.17685 |
| Rwork | 0.173 |
| R-free | 0.25999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.775 |
| 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] | 53.100 | 1.950 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 15609 | 1694 |
| <I/σ(I)> | 12.7 | 3.6 |
| Completeness [%] | 92.0 | |
| Redundancy | 3.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 23% PEG 3350, 0.1 M HEPES pH 7.5, 50 mM NaCl |
