6MKI
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.496, 85.572, 82.715 |
| Unit cell angles | 90.00, 109.93, 90.00 |
Refinement procedure
| Resolution | 39.038 - 2.984 |
| R-factor | 0.2269 |
| Rwork | 0.225 |
| R-free | 0.26210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PBP4 apo |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.555 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.040 | 3.170 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.128 | 0.364 |
| Rmeas | 0.172 | 0.492 |
| Rpim | 0.113 | 0.328 |
| Number of reflections | 31379 | 2468 |
| <I/σ(I)> | 5.4 | 2.3 |
| Completeness [%] | 97.5 | 92.3 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.890 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.25 | 294 | 0.04M KH2PO4, 16% PEG 8000, 20% Glycerol |
