3Q5K
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 73.258, 73.258, 213.604 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.980 - 2.350 |
| R-factor | 0.2431 |
| Rwork | 0.242 |
| R-free | 0.26060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.360 | 2.350 |
| Rmerge | 0.082 | 0.037 | 0.765 |
| Number of reflections | 14916 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 99.5 | 98.4 | 95.1 |
| Redundancy | 18.6 | 17.3 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 3.5 M Sodium Formate, 0.1 M Tris, 2 mM DDU_101323, 4 mM MgCl2, 2 mM TCEP, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
