3O2F
Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H54
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Detector technology | CCD |
| Collection date | 2007-12-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | .979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.960, 65.686, 85.453 |
| Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
| Resolution | 32.840 - 2.000 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.445 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.103 |
| Number of reflections | 45178 |
| <I/σ(I)> | 18.1 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 2-fold molar excess PU-H54, 14-17% isopropanol, 300-375 mM MgCl2, 0.1-1% glycerol, 100 mM HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
