3F78
Crystal structure of wild type LFA1 I domain complexed with isoflurane
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 | 2008-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.679, 85.800, 63.917 |
| Unit cell angles | 90.00, 118.18, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lfa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.187 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.065 | 0.043 | 0.616 |
| Number of reflections | 76838 | ||
| <I/σ(I)> | 22.222 | ||
| Completeness [%] | 97.9 | 99.3 | 90.4 |
| Redundancy | 4.4 | 4.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M sodium acetate pH7.5, 0.2M ammonium acetate, 25% PEG3350, 10mM isoflurane, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
