5AQS
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-08 |
| Detector | BRUKER PT135 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 230.369, 40.538, 116.618 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 58.310 - 2.000 |
| R-factor | 0.2105 |
| Rwork | 0.208 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | SAINT |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.310 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.190 | 0.820 |
| Number of reflections | 47003 | |
| <I/σ(I)> | 3.6 | 0.6 |
| Completeness [%] | 63.7 | 17.9 |
| Redundancy | 2.6 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL |
