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 |