3D0B
Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 113.15 |
| Collection date | 2004-10-26 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.853, 90.595, 98.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.270 - 1.740 |
| R-factor | 0.20156 |
| Rwork | 0.200 |
| R-free | 0.22828 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.369 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.032 | 0.203 |
| Number of reflections | 29431 | |
| <I/σ(I)> | 19.7 | 4.7 |
| Completeness [%] | 95.0 | 92.3 |
| Redundancy | 3 | 2.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Crystals were grown in 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, and 20% PEG 3350. Crystals were generated by adding 0.5ul protein to 0.5ul of reservoir in a sitting drop and incubating at 277K, VAPOR DIFFUSION, SITTING DROP |
