3H80
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.96863 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 122.431, 43.197, 50.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.680 - 2.000 |
| R-factor | 0.19762 |
| Rwork | 0.194 |
| R-free | 0.27289 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eko |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.579 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.072 | 0.200 |
| Number of reflections | 18169 | |
| <I/σ(I)> | 34.588 | 5.42 |
| Completeness [%] | 94.6 | 69.6 |
| Redundancy | 6.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG 3350, 0.1 M Ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 2 mM AMPPNP, 4 mM MgCl2, 2 mM TCEP, 25% Ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
