3LDQ
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.774, 121.995, 54.250 |
| Unit cell angles | 90.00, 106.88, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.2058 |
| Rwork | 0.203 |
| R-free | 0.25597 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.489 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.055 | 0.193 |
| Number of reflections | 39034 | |
| <I/σ(I)> | 21 | 6 |
| Completeness [%] | 97.7 | 95.4 |
| Redundancy | 3.5 | 2.9 |
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 |
