6FUI
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
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 | 2008-06-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.508, 50.064, 39.264 |
Unit cell angles | 90.00, 106.09, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.380 |
R-factor | 0.13558 |
Rwork | 0.132 |
R-free | 0.19780 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.717 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.120 | 1.420 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.321 | |
Number of reflections | 41680 | |
<I/σ(I)> | 15.54 | 2.61 |
Completeness [%] | 97.6 | |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22-25% PEG3350, 100 mM HEPES pH 7.5 |