4K91
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa 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 | 2011-06-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 232.143, 39.909, 85.461 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 39.890 - 2.050 |
| R-factor | 0.2147 |
| Rwork | 0.212 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.287 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.067 | 0.032 | 0.613 |
| Number of reflections | 46480 | ||
| <I/σ(I)> | 13.2 | ||
| Completeness [%] | 99.8 | 99 | 99.6 |
| Redundancy | 3.8 | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 20% PEG 3350, 0.2 M succinic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
