6QSW
Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
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 | 2009-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.001 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.281, 91.281, 260.221 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.055 - 1.640 |
| Rwork | 0.157 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dle |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.405 |
| 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] | 65.100 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmeas | 0.068 | 0.440 |
| Number of reflections | 129551 | 10441 |
| <I/σ(I)> | 19.56 | 2.52 |
| Completeness [%] | 95.8 | 76.6 |
| Redundancy | 7.6 | 2.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0 M ammonium sulfate, 0.1 M sodium acetate (pH 4.6), 2 mM inhibitor |
