1N3Y
Crystal structure of the alpha-X beta2 integrin I domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 84.694, 84.694, 65.776 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.720 - 1.650 |
| R-factor | 0.209 |
| Rwork | 0.208 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In-house structure of a Mac1 I domain |
| RMSD bond length | 0.005 |
| RMSD bond angle | 23.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.061 | 0.229 |
| Total number of observations | 278307 * | |
| Number of reflections | 32389 * | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 * | 293 | ammonium sulfate, glycerol, sodium acetate, EDTA, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.0 |
| 3 | 1 | reservoir | ammonium sulfate | 2.2-2.6 (M) | |
| 4 | 1 | reservoir | glycerol | 17.5 (%) | or 20% |
| 5 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.0 |
| 6 | 1 | reservoir | EDTA | 5 (mM) | or 15mM MnCl2 |
