1B07
CRK SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 |
| Unit cell lengths | 36.800, 36.800, 52.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.35400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ckb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.140 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.062 * | 0.075 * |
| Number of reflections | 15685 | |
| Completeness [%] | 92.0 | 81.8 |
| Redundancy | 8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | 29% PEG4000, 0.2 M AMMONIUM ACETATE, PH 6.0, pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG4000 | 29 (%) | |
| 2 | 1 | 1 | ammonium acetate | 0.2 (M) |
