7CO1
Crystal structure of SMAD2 in complex with wild-type CBP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2016-02-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.922, 70.395, 163.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.169 - 3.300 |
| R-factor | 0.2566 |
| Rwork | 0.255 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zoj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.530 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.170 | 47.170 | 3.560 |
| High resolution limit [Å] | 3.300 | 8.730 | 3.300 |
| Rmerge | 0.104 | 0.033 | 0.976 |
| Rmeas | 0.117 | 0.037 | 1.122 |
| Rpim | 0.052 | 0.016 | 0.536 |
| Total number of observations | 50331 | 3787 | 7169 |
| Number of reflections | 11297 | 744 | 2007 |
| <I/σ(I)> | 10.8 | 36.7 | 1.8 |
| Completeness [%] | 90.4 | 98.6 | 79.9 |
| Redundancy | 4.5 | 5.1 | 3.6 |
| CC(1/2) | 0.997 | 0.999 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 1 M sodium phosphate monobasic monohydrate-potassium phosphate dibasic |
