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 |