6GPP
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-12 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.07227 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.948, 42.135, 54.579 |
Unit cell angles | 90.00, 116.49, 90.00 |
Refinement procedure
Resolution | 46.180 - 1.510 |
R-factor | 0.1687 |
Rwork | 0.167 |
R-free | 0.20015 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xk2 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.150 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.290 | 1.590 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.049 | 0.380 |
Rmeas | 0.057 | 0.445 |
Rpim | 0.029 | 0.228 |
Number of reflections | 32997 | 4107 |
<I/σ(I)> | 13.6 | 2.7 |
Completeness [%] | 95.4 | 81.9 |
Redundancy | 3.8 | 3.6 |
CC(1/2) | 0.998 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Precipitant: 25 % wt/vol PEG 2000, 200mM MgCl2, 100 mM sodium cacodylate, pH 6.5 Sample: Hsp90a-NTD K112A 20 mg/mL, 10 mM ADP, 500 mM NaCl, 20 mM TRIS, pH 7.5 |