4IXD
X-ray structure of lfa-1 i-domain in complex with ibe-667 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 | 2000-09-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.873 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 45.300, 65.900, 133.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.970 - 1.800 |
| R-factor | 0.17295 |
| Rwork | 0.172 |
| R-free | 0.19934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xdg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.973 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.134 |
| Number of reflections | 18688 | |
| <I/σ(I)> | 22.9 | 10.6 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 293 | 0.085M sodium acetate, pH4.6, 0.17M ammonium acetate, 15% glycerol and 25.5% (w/v) PEG4000 , VAPOR DIFFUSION, temperature 293.0K |
