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 |