3INX
HSP90 N-TERMINAL DOMAIN with pochoxime B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9740 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.200, 89.618, 98.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.850 - 1.750 |
| R-factor | 0.17044 |
| Rwork | 0.168 |
| R-free | 0.21699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yet |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.590 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.600 | |
| Number of reflections | 30015 | |
| <I/σ(I)> | 14.5 | 2.5 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 273 | 22-31 % (w/v) PEG 4000, 200 mM Na-Acetate, 100 mM Tris-HCl, pH 7.5-9.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
