3M3Z
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.776, 120.969, 53.537 |
| Unit cell angles | 90.00, 106.78, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.20547 |
| Rwork | 0.198 |
| R-free | 0.29305 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.842 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.429 |
| Number of reflections | 29699 | |
| <I/σ(I)> | 4.9 | 1.4 |
| Completeness [%] | 88.2 | 83.3 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 15% PEG3350, 0.1M TRIS BUFFER, 25MM SODIUM-POTASSIUM TARTRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
