6T8V
Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
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 | 2012-09-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.652, 97.487, 61.975 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 48.743 - 2.290 |
| Rwork | 0.202 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dle |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.497 |
| 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] | 60.920 | 2.360 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.102 | 0.380 |
| Rmeas | 0.121 | 0.450 |
| Number of reflections | 28558 | 2476 |
| <I/σ(I)> | 12.22 | 4.16 |
| Completeness [%] | 99.1 | 98.1 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG3350, 0.1M HEPES PH 7.5, 5 mM inhibitor |
