8AGL
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-13 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.864, 72.864, 210.526 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.860 - 2.200 |
R-factor | 0.2326 |
Rwork | 0.230 |
R-free | 0.29740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gq6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.566 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 210.530 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.049 | 0.937 |
Rmeas | 0.051 | 0.973 |
Number of reflections | 29864 | 4245 |
<I/σ(I)> | 25.7 | 2.7 |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | |
CC(1/2) | 1.000 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | 25% wt/vol PEG-4000, 200 mM magnesium chloride and 100 mM TRIS-HCl, pH 8.5 |