5DUQ
Active human c1-inhibitor in complex with dextran sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.100, 197.424, 56.779 |
| Unit cell angles | 90.00, 103.31, 90.00 |
Refinement procedure
| Resolution | 44.360 - 2.900 |
| R-factor | 0.23084 |
| Rwork | 0.228 |
| R-free | 0.27829 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.589 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.360 |
| High resolution limit [Å] | 2.900 |
| Rmerge | 0.113 |
| Number of reflections | 26376 |
| <I/σ(I)> | 7.2 |
| Completeness [%] | 98.6 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 11 mg/ml of C1-inhibitor was mixed with 5kDa dextran sulfate in a 1:2 molar ratio and incubated on ice for an hour. Crystals grew in0.1 M SPG (pH 9), 25% w/v PEG 1500 0.1 M MgCl hexahydrate after 10 days. |
