5AQN
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 I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-07 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 233.290, 41.030, 205.250 |
Unit cell angles | 90.00, 123.13, 90.00 |
Refinement procedure
Resolution | 48.840 - 2.450 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hx1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
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] | 48.830 | 2.510 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.120 | 1.160 |
Number of reflections | 61173 | |
<I/σ(I)> | 6.1 | 0.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.3 | 3.4 |
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 |