5C14
Crystal structure of PECAM-1 D1D2 domain
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97624, 0.97872 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 104.010, 104.010, 281.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.790 - 2.800 |
| R-factor | 0.239 |
| Rwork | 0.238 |
| R-free | 0.27900 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.200 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.125 | 0.493 |
| Number of reflections | 36261 | |
| <I/σ(I)> | 11.76 | 2.42 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 6.17 | 4.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.1 M Tris pH 8.5, 0.1 M MgNO3, 20% PEG 3350 |
