6QMT
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
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 | 2012-01-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.964, 39.235, 63.502 |
| Unit cell angles | 83.03, 75.34, 65.17 |
Refinement procedure
| Resolution | 35.600 - 1.800 |
| R-factor | 0.2035 |
| Rwork | 0.202 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dsu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.921 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.410 | 1.730 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.050 | 0.310 |
| Rmeas | 0.063 | 0.400 |
| Number of reflections | 37403 | 5507 |
| <I/σ(I)> | 10.93 | 2.49 |
| Completeness [%] | 92.9 | 84.3 |
| Redundancy | 2.35 | 2.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEGME 3350, 100 mM Bis-Tris pH 5.5 |
