3POD
Crystal structure of MBL collagen-like peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.880, 23.440, 25.800 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 22.710 - 1.497 |
| R-factor | 0.11857 |
| Rwork | 0.115 |
| R-free | 0.19179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cag |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.653 |
| 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] | 1.497 | 1.497 |
| Rmerge | 0.045 | 0.152 |
| Number of reflections | 8299 | |
| <I/σ(I)> | 25.94 | 10.15 |
| Completeness [%] | 98.8 | 96.9 |
| Redundancy | 2.98 | 2.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.6M ammonium sulfate, 100mM MES buffer, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
