3OCN
Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9750 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.081, 81.812, 87.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.850 - 2.610 |
| R-factor | 0.20865 |
| Rwork | 0.206 |
| R-free | 0.26264 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ocl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.019 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.166 | 0.545 |
| Number of reflections | 15047 | |
| <I/σ(I)> | 11.9 | 2.5 |
| Completeness [%] | 98.6 | 89.3 |
| Redundancy | 5.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 294 | 25%(w/v) polyethylene glycol 3350, 0.1M Bis-Tris propane, 1%(w/v) protamine sulphate, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
