3POF
Crystal structure of MASP-1 CUB2 domain bound to Ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 100.460, 100.460, 100.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.010 - 1.501 |
| R-factor | 0.11896 |
| Rwork | 0.117 |
| R-free | 0.14886 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3poe |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.396 |
| 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] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.076 | 0.331 |
| Number of reflections | 53908 | |
| <I/σ(I)> | 18.5 | 4.38 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4.92 | 4.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 279 | 1.5M lithium sulfate, 100mM tris buffer, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
