4NH8
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.870, 90.840, 99.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.420 - 1.650 |
R-factor | 0.1825 |
Rwork | 0.182 |
R-free | 0.18660 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.270 |
Data reduction software | PROCESS |
Data scaling software | PROCESS |
Phasing software | BUSTER (2.11.5) |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.421 | 1.651 |
High resolution limit [Å] | 1.645 | 1.645 |
Rmerge | 0.567 | |
Number of reflections | 36459 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20-25% PEGMME2K, 100mM MgCl2, 100mM cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |