2SEM
SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.200, 59.900, 33.600 |
| Unit cell angles | 90.00, 102.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.200 |
| Rwork | 0.206 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sem |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.124 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.290 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.093 * | 0.212 * |
| Number of reflections | 6144 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG4000 | 28 (%) | |
| 2 | 1 | 1 | 0.2 (M) |
