6QSX
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
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 | 55.592, 98.060, 61.721 |
| Unit cell angles | 90.00, 99.17, 90.00 |
Refinement procedure
| Resolution | 51.754 - 1.770 |
| Rwork | 0.189 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dle |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.599 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.754 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmeas | 0.052 | 0.330 |
| Number of reflections | 63253 | 6010 |
| <I/σ(I)> | 16.56 | 4.25 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.5 M ammonium sulfate, 0.1 mM sodium acetate (pH 4.6), 2 mM inhibitor |
