3POG
Crystal structure of the MASP-1 CUB2 domain bound to Ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.680, 64.690, 52.420 |
| Unit cell angles | 90.00, 92.33, 90.00 |
Refinement procedure
| Resolution | 38.980 - 2.749 |
| R-factor | 0.23611 |
| Rwork | 0.233 |
| R-free | 0.28564 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3poe |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.790 |
| 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] | 38.890 | 2.910 |
| High resolution limit [Å] | 2.749 | 2.749 |
| Rmerge | 0.171 | 0.365 |
| Number of reflections | 8258 | |
| <I/σ(I)> | 5.81 | 2.7 |
| Completeness [%] | 83.6 | 78.6 |
| Redundancy | 2.26 | 2.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 24% PEG 8,000, 50mM Tris buffer, pH 9.0, 200mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
