1JTD
Crystal structure of beta-lactamase inhibitor protein-II in complex with TEM-1 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-14 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.525, 84.918, 147.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.540 - 2.300 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TEM-1 beta-lactamase |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 * | 0.132 * |
| Total number of observations | 92242 * | |
| Number of reflections | 27197 | |
| <I/σ(I)> | 20 | 7.6 |
| Completeness [%] | 98.3 | 89.5 |
| Redundancy | 3.39 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 20 * | PEG8000, calcium acetate, sodium cacodylate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 50 (mM) | |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | protein | 10 (mg/ml) | |
| 4 | 1 | reservoir | PEG8000 | 24 (%(w/v)) | |
| 5 | 1 | reservoir | calcium acetate | 20 (mM) | |
| 6 | 1 | reservoir | sodium cacodylate | 67 (mM) |
