3DTM
Increased folding stability of TEM-1 beta-lactamase by in-vitro selection
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.820, 79.680, 87.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.410 - 2.000 |
| R-factor | 0.21785 |
| Rwork | 0.215 |
| R-free | 0.27163 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1btl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.361 |
| Data reduction software | XDS |
| Data scaling software | ADDREF |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.590 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.348 | |
| Number of reflections | 23406 | 1056 |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 99.8 | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 288 | 1.6-1.8 M Ammonium citrate, 5% PEG 400, 0.1M Tris buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
