5AQK
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 | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-24 |
| Detector | DECTRIS PILATUS 300K |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.003, 39.894, 127.514 |
| Unit cell angles | 90.00, 115.05, 90.00 |
Refinement procedure
| Resolution | 26.940 - 2.090 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| 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] | 41.380 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.150 | 1.180 |
| Number of reflections | 31046 | |
| <I/σ(I)> | 9.5 | 1 |
| Completeness [%] | 98.3 | 93.4 |
| Redundancy | 5.7 | 3.3 |
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, 25% (V/V) GLYCEROL AND 100 MM GDP FROM 1 M STOCK AT PH 7.5 |
