4HCR
Crystal structure of human MAdCAM-1 D1D2 complexed with Fab PF-547659
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.940, 112.260, 157.920 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.300 |
| R-factor | 0.1578 |
| Rwork | 0.153 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.504 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 48.000 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 59513 |
| Completeness [%] | 96.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M Citrate pH 6.0, 18% (w/v) PEG 3350, 12% (w/v) myo-inositol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
