6GQU
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with cAMP
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) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.936, 42.187, 54.382 |
| Unit cell angles | 90.00, 116.67, 90.00 |
Refinement procedure
| Resolution | 48.600 - 1.720 |
| R-factor | 0.17442 |
| Rwork | 0.172 |
| R-free | 0.22808 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xk2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.378 |
| 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] | 48.600 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.057 | 0.366 |
| Rmeas | 0.071 | 0.461 |
| Rpim | 0.042 | 0.277 |
| Number of reflections | 21679 | 3127 |
| <I/σ(I)> | 9.7 | 2.2 |
| Completeness [%] | 93.1 | 92.1 |
| Redundancy | 2.4 | 2.3 |
| CC(1/2) | 0.997 | 0.857 |
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 cAMP, 500 mM NaCl, 20 mM TRIS, pH 7.5 |
