2QFO
HSP90 complexed with A143571 and A516383
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2005-04-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.157, 88.755, 98.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.680 |
R-factor | 0.246 |
Rwork | 0.224 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yer |
RMSD bond length | 0.114 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 61674 | |
<I/σ(I)> | 12.7 | 5.5 |
Completeness [%] | 95.3 | 87.8 |
Redundancy | 6.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | Protein at 35 mg/ml with a reservoir of 22-30 % (w/v) PEG4000, 0.1 M Tris-HCl PH 8.5, 0.2 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |