2J6O
ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETEROTRIMER
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2004-06-07 |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 66.391, 66.391, 68.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.730 - 2.230 |
| R-factor | 0.243 |
| Rwork | 0.241 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CMSA-CBL-B STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.306 |
| Data reduction software | MOSFLM |
| Data scaling software | TRUNCATE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.360 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.110 | 0.410 |
| Number of reflections | 3933 | |
| <I/σ(I)> | 25.02 | 15.74 |
| Completeness [%] | 98.0 | 86.6 |
| Redundancy | 16.66 | 14.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 20% PEG3000, 0.1M ACETATE PH 5.5 |
