3HRE
X-ray crystallographic structure of CTX-M-9 S70G
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 | 45.069, 106.291, 47.543 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 42.600 - 1.450 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.536 |
| 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 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.047 | 0.180 |
| Number of reflections | 78452 | |
| <I/σ(I)> | 22.43 | 5.43 |
| Completeness [%] | 96.2 | 91 |
| Redundancy | 4.9 | 4.8 |
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 |
