3ITA
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-10 |
| Detector | ADSC QUANTUM Q315R |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.938, 185.980, 83.036 |
| Unit cell angles | 90.00, 101.37, 90.00 |
Refinement procedure
| Resolution | 35.810 - 1.800 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO PBP6 STRUCTURE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.322 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.5.0072) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.028 | 0.430 |
| Number of reflections | 148355 | |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 95.0 | 91.8 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 292 | PEG 8000, pH 4.5, vapor diffusion, hanging drop, temperature 292K |
