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 |