8AGJ
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A 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 | 73.025, 73.025, 209.292 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.950 - 2.320 |
R-factor | 0.2252 |
Rwork | 0.222 |
R-free | 0.28420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gq6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.632 |
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] | 209.290 | 2.450 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.163 | 1.306 |
Rmeas | 0.170 | 0.047 |
Rpim | 0.047 | |
Number of reflections | 25323 | 3654 |
<I/σ(I)> | 8.5 | 2.5 |
Completeness [%] | 99.1 | 100 |
Redundancy | 13.2 | |
CC(1/2) | 0.996 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | 25% wt/vol PEG-2000, 200 mM magnesium chloride and 100 mM sodium cacodylate, pH 6.5 |