4J0B
Structure of mitochondrial Hsp90 (TRAP1) with ADP-BeF3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.779, 96.566, 124.977 |
| Unit cell angles | 90.00, 134.29, 90.00 |
Refinement procedure
| Resolution | 29.820 - 2.352 |
| R-factor | 0.2065 |
| Rwork | 0.205 |
| R-free | 0.24770 |
| Structure solution method | SAD |
| Starting model (for MR) | SeMET derivative of TRAP1 ADP-BeF3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.174 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: dev_1278)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 62301 | |
| <I/σ(I)> | 18 | 1.9 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18 % (v/v) PEG3350, 0.2 M sodium malonate pH 6.6, 20-36 M hexamine cobalt mixed 1:1 with TRAP1 protein at 1 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
