1OB6
Cephaibol B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER M06XCE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-05-15 |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.146, 9.126, 37.982 |
Unit cell angles | 90.00, 111.36, 90.00 |
Refinement procedure
Resolution | 35.370 * - 0.890 |
R-factor | 0.0744 |
R-free | 0.07930 |
Structure solution method | DIRECT METHODS |
RMSD bond length | 0.021 |
RMSD bond angle | 0.040 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.400 | 1.000 |
High resolution limit [Å] | 0.890 | 0.890 |
Rmerge | 0.044 | 0.079 |
Total number of observations | 73436 * | |
Number of reflections | 16045 | |
<I/σ(I)> | 23.29 | 10.37 |
Completeness [%] | 97.0 | 90 |
Redundancy | 4.44 | 2.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.6 | 0.1 M NAAC/HAC PH=4.6, 32% ETOH, pH 4.60 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | cephaibol | 5 (mg/ml) | |
2 | 1 | reservoir | NaAc/HAc | 0.1 (M) | pH4.2-4.8 |
3 | 1 | reservoir | ethanol | 30-38 (%) |