3QSB
Structure of E. coli polIIIbeta with (Z)-5-(1-((4'-Fluorobiphenyl-4-yl)methoxyimino)butyl)-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.176, 66.519, 83.117 |
| Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
| Resolution | 24.690 - 1.900 |
| R-factor | 0.24621 |
| Rwork | 0.242 |
| R-free | 0.31701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mmi |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.205 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.243 | |
| Number of reflections | 57969 | |
| <I/σ(I)> | 13.8 | 2.7 |
| Completeness [%] | 94.8 | 87.9 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 100mM Na MES pH 6.0, 50-60mM CaCl2, 30%(v/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
