1RD4
An allosteric inhibitor of LFA-1 bound to its I-domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.960, 64.410, 66.210 |
| Unit cell angles | 74.21, 90.00, 87.26 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.245 |
| Rwork | 0.236 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lfa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.180 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.068 |
| Number of reflections | 26155 |
| <I/σ(I)> | 8.1 |
| Completeness [%] | 91.6 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 30% (w/v) PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 4.6 |
