5ZR3
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.400, 95.210, 102.360 |
| Unit cell angles | 90.00, 91.30, 90.00 |
Refinement procedure
| Resolution | 102.330 - 2.500 |
| R-factor | 0.2053 |
| Rwork | 0.202 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wq9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.961 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.334 | 43.163 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.014 | 0.230 | |
| Rmeas | 0.047 | 0.017 | 0.271 |
| Rpim | 0.024 | 0.009 | 0.142 |
| Total number of observations | 131060 | ||
| Number of reflections | 35809 | 1179 | 5109 |
| <I/σ(I)> | 20.5 | 35.1 | 3.2 |
| Completeness [%] | 97.4 | 98 | 95.8 |
| Redundancy | 3.7 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 6000, 200mM NaCl, 50mM Tris pH 7.5 |
