3PVN
Triclinic form of Human C-Reactive Protein in complex with Zinc
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 | 2008-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.300, 96.400, 160.400 |
| Unit cell angles | 79.90, 77.10, 69.40 |
Refinement procedure
| Resolution | 19.920 - 1.980 |
| R-factor | 0.17857 |
| Rwork | 0.176 |
| R-free | 0.23551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lj7 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.938 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 275047 | |
| <I/σ(I)> | 9.7 | 2.96 |
| Completeness [%] | 92.8 | 91.7 |
| Redundancy | 1.94 | 1.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 289 | 12% PEG 4000, 0.1M Tris-Hcl, 0.2M MgCl2, 0.05M LiCl, pH 8.0, VAPOR DIFFUSION, temperature 289K |
