3E2M
LFA-1 I domain bound to inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.062, 69.608, 72.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.430 - 2.000 |
| R-factor | 0.219 |
| Rwork | 0.215 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lfa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.363 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.107 |
| Number of reflections | 34005 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 5% PEG400, 20% PEG3350, 50MM K2HPO4 PH 4.5, 10MM MGCL2, 1MM INHIBITOR, pH 4.50, VAPOR DIFFUSION, HANGING DROP |
