2YKC
Tricyclic series of Hsp90 inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Collection date | 2004-12-09 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.430, 90.360, 98.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.740 - 1.670 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | PROCESS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.240 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.040 | 0.170 |
| Number of reflections | 34725 | |
| Completeness [%] | 99.5 | 97.4 |
| Redundancy | 5.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
