3EKO
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.557, 79.220, 118.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.370 - 1.550 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.410 |
| Rmerge | 0.059 |
| Number of reflections | 117734 |
| <I/σ(I)> | 24.7 |
| Completeness [%] | 98.1 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 286 | 34 % Ethylene glycol, 0.1 M Phoshpate-citrate pH 4.4, 5 mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
