5TCC
Complement Factor D inhibited with JH4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.886, 143.745, 346.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.860 - 3.370 |
| R-factor | 0.242 |
| Rwork | 0.241 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bio |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.420 |
| High resolution limit [Å] | 3.360 | 9.100 | 3.360 |
| Rmerge | 0.102 | 0.033 | 0.259 |
| Rmeas | 0.105 | ||
| Rpim | 0.027 | ||
| Total number of observations | 517784 | ||
| Number of reflections | 35335 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 14.7 | 12.4 | 15 |
| CC(1/2) | 0.999 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5 and 25% PEG 8000 |
