3POJ
Crystal structure of MASP-1 CUB2 domain bound to Ethylamine
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) | 0.9795 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 100.480, 100.480, 100.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 1.451 |
| R-factor | 0.12627 |
| Rwork | 0.125 |
| R-free | 0.15549 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pof |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.241 |
| 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 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.079 | 0.306 |
| Number of reflections | 59331 | |
| <I/σ(I)> | 15.67 | 4.9 |
| Completeness [%] | 99.1 | 96.3 |
| Redundancy | 4.09 | 3.99 |
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 |
