1XUO
X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.80000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.259, 59.995, 142.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.18505 |
| Rwork | 0.184 |
| R-free | 0.21409 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cqp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.283 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 35097 | |
| <I/σ(I)> | 29.4 | 4.3 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 6000, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
