3U23
Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.130, 32.040, 39.180 |
| Unit cell angles | 90.00, 92.56, 90.00 |
Refinement procedure
| Resolution | 27.430 - 1.110 |
| R-factor | 0.15151 |
| Rwork | 0.151 |
| R-free | 0.16663 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb entries 2G6F 1oeb 2ak5 2fei 3iql |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.271 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.430 | 1.140 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.056 | 0.521 |
| Number of reflections | 24275 | |
| <I/σ(I)> | 14.98 | 2.24 |
| Completeness [%] | 92.8 | 59.9 |
| Redundancy | 6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 1.4 M tri-sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
