8AGI
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) 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 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.900, 72.900, 212.189 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.940 - 2.100 |
R-factor | 0.2132 |
Rwork | 0.210 |
R-free | 0.27640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gq6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.657 |
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] | 212.190 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.055 | 0.754 |
Rmeas | 0.057 | 0.788 |
Rpim | 0.016 | 0.225 |
Number of reflections | 30642 | 4410 |
<I/σ(I)> | 24.5 | 2.8 |
Completeness [%] | 88.6 | |
Redundancy | 13 | |
CC(1/2) | 1.000 | 0.871 |
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 |