3HI6
Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9793688 |
| Spacegroup name | P 65 |
| Unit cell lengths | 133.780, 133.780, 161.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.142 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 5.670 | 2.300 |
| Rmerge | 0.084 | 0.034 | 0.474 |
| Number of reflections | 70437 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 97.8 | 99.8 | 78.8 |
| Redundancy | 7.4 | 7.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2M (NH4)2SO4, 0.1M NaAc, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
