6GR5
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.917, 44.729, 54.108 |
| Unit cell angles | 90.00, 115.54, 90.00 |
Refinement procedure
| Resolution | 48.700 - 1.340 |
| R-factor | 0.13665 |
| Rwork | 0.135 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xk2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.975 |
| 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] | 48.820 | 1.410 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.034 | 0.443 |
| Rmeas | 0.039 | 0.543 |
| Rpim | 0.020 | 0.307 |
| Number of reflections | 50567 | 5869 |
| <I/σ(I)> | 15.1 | 2.1 |
| Completeness [%] | 96.5 | 77.4 |
| Redundancy | 3.5 | 2.6 |
| CC(1/2) | 0.999 | 0.841 |
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 K112R 20 mg/mL, 10 mM ADP, 500 mM NaCl, 20 mM TRIS, pH 7.5 |
