3NMS
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement C3c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-07-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 214.067, 68.434, 114.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.391 - 4.100 |
| R-factor | 0.2728 |
| Rwork | 0.271 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.371 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.250 |
| High resolution limit [Å] | 4.100 | 8.820 | 4.100 |
| Rmerge | 0.181 | 0.103 | 0.491 |
| Number of reflections | 13684 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 98.4 | 98.9 | 99.7 |
| Redundancy | 5.4 | 5.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Protein solution: 5mg/ml, 0.1M HEPES, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
