3O6O
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-06-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.650, 65.812, 62.745 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 25.610 - 2.000 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.075 | 0.041 | 0.528 |
| Number of reflections | 30581 | ||
| <I/σ(I)> | 9.6 | 2.45 | |
| Completeness [%] | 99.3 | 99.1 | 93.7 |
| Redundancy | 3.7 | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.0 M Ammonium Sulfate 2% PEG400 0.1 M Hepes pH 7.5 2 mM TCEP 4 mM MgCl2 2 mM Inhibitor 85705, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
