4D9R
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Experimental procedure
Experimental method | SINGLE |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 132.048, 132.048, 180.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.840 - 2.420 |
R-factor | 0.2149 |
Rwork | 0.213 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hfd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER-TNT (BUSTER 2.9.6) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.510 |
High resolution limit [Å] | 2.420 | 5.200 | 2.420 |
Rmerge | 0.099 | 0.067 | 0.505 |
Number of reflections | 60502 | ||
<I/σ(I)> | 9.8 | ||
Completeness [%] | 98.6 | 94.5 | 99.5 |
Redundancy | 4 | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K |