4R4S
Crystal structure of chimeric beta-lactamase cTEM-19m at 1.1 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.710, 58.710, 109.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.770 - 1.100 |
| R-factor | 0.10534 |
| Rwork | 0.104 |
| R-free | 0.12821 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4qy5 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.014 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.8.0073) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.770 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.041 | 0.286 |
| Number of reflections | 95319 | |
| <I/σ(I)> | 21.3 | 3.4 |
| Completeness [%] | 98.3 | 84.5 |
| Redundancy | 5.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
