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 |