6RAV
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
This is a non-PDB format compatible entry.
Replaces: 6QSVExperimental 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 | 2015-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.463, 97.446, 61.815 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 48.723 - 1.700 |
| Rwork | 0.195 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dle |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.557 |
| 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] | 48.723 | 1.770 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.068 | 0.814 |
| Rmeas | 0.081 | 0.991 |
| Number of reflections | 68802 | 7743 |
| <I/σ(I)> | 10.82 | 1.8 |
| Completeness [%] | 98.8 | 96.6 |
| Redundancy | 3.3 | 3.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 24 % (w/v) PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris (pH 5.5), 2mM inhibitor |
