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 |