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 |