6T8W
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
This is a non-PDB format compatible entry.
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 | 2011-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.696, 97.656, 61.881 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 53.813 - 1.700 |
| Rwork | 0.198 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dle |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.670 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.870 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.051 | 0.259 |
| Rmeas | 0.061 | 0.356 |
| Number of reflections | 69872 | 5823 |
| <I/σ(I)> | 13.55 | 3.86 |
| Completeness [%] | 99.3 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG3350, 0.1M BIS-TRIS PH 6.5, 0.2M AMMONIUM SULFATE, 0.1 MM ZNCL2, 1 mM inhibitor |
