6GR4
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R
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) | 0.97949 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.179, 89.818, 100.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.310 - 1.500 |
| R-factor | 0.16592 |
| Rwork | 0.165 |
| R-free | 0.19326 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uyl |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.887 |
| 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] | 66.930 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.061 | 0.351 |
| Rmeas | 0.066 | 0.378 |
| Rpim | 0.024 | 0.141 |
| Number of reflections | 48140 | 6907 |
| <I/σ(I)> | 14.8 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.2 |
| CC(1/2) | 0.998 | 0.921 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25 % wt/vol PEG 2000, 200mM MgCl2, 100 mM sodium cacodylate, pH 6.5 |
