3IT9
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
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 | 2008-05-03 |
| Detector | ADSC QUANTUM Q315R |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.949, 184.853, 81.610 |
| Unit cell angles | 90.00, 100.62, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.21 |
| Rwork | 0.207 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model constructed by Modeller using 1NZO |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.858 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.062 | 0.481 |
| Number of reflections | 93487 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 97.7 | 97 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 292 | PEG 8000, pH 4.5, vapor diffusion, hanging drop, temperature 292K |
