3PON
Crystal structure of MBL collagen-like peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.872600 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.270, 23.650, 26.940 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 21.260 - 1.500 |
| R-factor | 0.14344 |
| Rwork | 0.141 |
| R-free | 0.18981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pod |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.777 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.485 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.093 | 0.359 |
| Number of reflections | 8744 | |
| <I/σ(I)> | 4 | 2 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.6M Ammonium Sulphate, 100mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
