5AQY
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.521, 89.046, 95.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.970 - 1.560 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.20360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.970 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.080 | 1.300 |
| Number of reflections | 58145 | |
| <I/σ(I)> | 5.2 | 1 |
| Completeness [%] | 98.9 | 97 |
| Redundancy | 4.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 17-28% (W/V) PEG3350, 0.1M HEPES PH 7.5, 2MM MGCL2, 2MM NAH2PO4 AND 5MM ADENOSINE |
