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 |