3VSK
Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the apo form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-15 |
| Detector | MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 143.419, 143.419, 189.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.903 - 2.301 |
| R-factor | 0.2629 |
| Rwork | 0.261 |
| R-free | 0.30020 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.461 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.090 | 0.049 | 0.494 |
| Number of reflections | 85132 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 96.7 | 98.4 | 89.4 |
| Redundancy | 5.7 | 8.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.0M Ammonium sulfate, 0.5M Lithium chloride, 5% Glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
