3VHC
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.795, 44.004, 53.897 |
Unit cell angles | 90.00, 114.35, 90.00 |
Refinement procedure
Resolution | 14.210 - 1.410 |
R-factor | 0.1915 |
Rwork | 0.190 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (8.2.01) |
Refinement software | BUSTER-TNT (2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.460 |
High resolution limit [Å] | 1.410 | 3.040 | 1.410 |
Rmerge | 0.045 | 0.033 | 0.288 |
Number of reflections | 42294 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 96.9 | 96.6 | 90.7 |
Redundancy | 3.7 | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 33%(w/v) PEG 2000 MME, 0.1M MgCl2, 0.1M Tris-Cl, pH 8.5, vapor diffusion, hanging drop, temperature 277K |