1S0W
1b Lactamse/ b Lactamase Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.785, 125.507, 158.763 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.000 * |
| R-factor | 0.261 |
| Rwork | 0.212 |
| R-free | 0.26200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jtg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.057 * | 0.203 * |
| Total number of observations | 498302 * | |
| Number of reflections | 40514 * | |
| <I/σ(I)> | 22 | 20.3 |
| Completeness [%] | 97.2 * | 89.9 |
| Redundancy | 7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 | 293 | PEG 8000, Dioxane, pH 7.5, Microbatch, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
| 3 | 1 | reservoir | PEG8000 | 30 (%(w/v)) | |
| 4 | 1 | reservoir | dioxane | 2 (%(v/v)) |
