3PVO
Monoclinic form of Human C-Reactive Protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979689 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.600, 143.200, 161.200 |
Unit cell angles | 90.00, 89.70, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.22946 |
Rwork | 0.227 |
R-free | 0.28521 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lj7 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.697 |
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 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 86781 | |
<I/σ(I)> | 6.7 | 1.99 |
Completeness [%] | 95.0 | 92.6 |
Redundancy | 1.96 | 1.79 |
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 |