2BDN
Crystal structure of human MCP-1 bound to a blocking antibody, 11K2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.360, 89.100, 176.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.530 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 11K2 fab model from Modeler |
| RMSD bond length | 1.376 |
| RMSD bond angle | 0.007 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.090 | 0.436 |
| Number of reflections | 22774 | |
| <I/σ(I)> | 21.2 | 3.3 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 13% PEG 4000, 100 mM Hepes, pH 7.5, 30 mM glycl-glycl-glycine, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
