3BQN
LFA-1 I domain bound to inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-08-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.425, 70.119, 72.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.560 - 1.800 |
| R-factor | 0.20468 |
| Rwork | 0.202 |
| R-free | 0.25214 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.162 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| 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 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 5% Peg400, 20% Peg3350, 50mM K2HPO4 pH 4.5, 10mM MgCl2, 1mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
