7LSZ
Hsp90a N-terminal inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-19 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.19787 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.761, 89.983, 98.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.822 - 1.700 |
| R-factor | 0.1751 |
| Rwork | 0.174 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cg9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.087 | 0.046 | 0.335 |
| Rmeas | 0.096 | 0.051 | 0.369 |
| Rpim | 0.039 | 0.021 | 0.152 |
| Total number of observations | 190301 | ||
| Number of reflections | 32489 | 1740 | 1611 |
| <I/σ(I)> | 21.1 | ||
| Completeness [%] | 98.7 | 98.2 | 100 |
| Redundancy | 5.9 | 5.7 | 6 |
| CC(1/2) | 0.997 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 23% PEGMME 2,000, 0.2 M magnesium chloride, 0.1M sodium cacodylate pH 6.5 |
