3POE
Crystal structure of the MASP-1 CUB2 domain bound to Ca2+
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) | 0.9687 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 36.670, 36.670, 168.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.670 - 1.501 |
| R-factor | 0.13549 |
| Rwork | 0.133 |
| R-free | 0.17711 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dem |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.049 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.034 | 0.169 |
| Number of reflections | 19394 | |
| <I/σ(I)> | 34.71 | 9.33 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 7.1 | 7.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 279 | 24% PEG 8000, 50mM Tris buffer, pH 9.0, 20mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
