3HUO
X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0723 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.205, 106.784, 47.645 |
| Unit cell angles | 90.00, 101.69, 90.00 |
Refinement procedure
| Resolution | 34.080 - 1.500 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.989 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.055 | 0.241 |
| Number of reflections | 95275 | |
| <I/σ(I)> | 13.094 | 2.14 |
| Completeness [%] | 98.5 | 90.5 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | potassium phosphate , pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
