3POB
Crystal structure of MASP-1 CUB2 domain in complex with the collagen-like domain of MBL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.200, 52.560, 57.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.440 - 1.801 |
| R-factor | 0.20069 |
| Rwork | 0.198 |
| R-free | 0.25213 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dem |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.194 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.307 |
| Number of reflections | 17755 | |
| <I/σ(I)> | 25.76 | 5.38 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 28% PEG 8000, 50mM Tris, pH 8.0, 4mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
