3POI
Crystal structure of MASP-1 CUB2 domain bound to Methylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979500 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 100.570, 100.570, 100.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.980 - 1.701 |
| R-factor | 0.12079 |
| Rwork | 0.119 |
| R-free | 0.15624 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.141 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.087 | 0.322 |
| Number of reflections | 37446 | |
| <I/σ(I)> | 18.01 | 4.84 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.07 | 5.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 279 | 1.5M Lithium sulfate, 100mM Tirs buffer, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
