3Q1F
CTX-M-9 S70G in complex with hydrolyzed piperacillin
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 | 45.098, 106.606, 47.541 |
| Unit cell angles | 90.00, 101.92, 90.00 |
Refinement procedure
| Resolution | 19.200 - 1.500 |
| R-factor | 0.14537 |
| Rwork | 0.144 |
| R-free | 0.17646 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.301 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.081 | 0.375 |
| Number of reflections | 135290 | |
| <I/σ(I)> | 16.9 | 3.5 |
| Completeness [%] | 99.3 | 98.4 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 0.8M phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
