6CEO
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03334 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.440, 88.930, 99.933 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.515 - 1.896 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.844 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12rc0_2784: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.896 | 1.896 |
| Rmerge | 0.050 | 0.422 |
| Number of reflections | 23393 | 1193 |
| <I/σ(I)> | 26.5 | 2.2 |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 3.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 2000 MME, MgCl2 |
