1GSM
A reassessment of the MAdCAM-1 structure and its role in integrin recognition.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.000, 99.200, 70.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.900 |
| R-factor | 0.223 * |
| Rwork | 0.217 |
| R-free | 0.25900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqs |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 0.032 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 1.900 | |
| Rmerge | 0.033 | 0.230 * |
| Number of reflections | 102574 | |
| <I/σ(I)> | 43.3 | |
| Completeness [%] | 99.0 | 98.5 * |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | PROTEIN SOLUTION:10 MG/ML. CRYSTALLIZATION SOLUTION: 16% PEG 4000, 0.5M LI2SO4, PH 7.75. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | pH8.0 |
| 3 | 1 | reservoir | PEG4000 | 16 (%(w/v)) | |
| 4 | 1 | reservoir | 0.5 (M) | ||
| 5 | 1 | reservoir | Tris | 0.1 (M) | pH7.75 |
