5M18
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.623, 101.195, 186.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 93.309 - 1.980 |
| R-factor | 0.2063 |
| Rwork | 0.205 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vqq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.022 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2420: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 186.620 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.380 | |
| Number of reflections | 100216 | |
| <I/σ(I)> | 14.8 | 2.2 |
| Completeness [%] | 93.8 | 91.9 |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% (vol/vol) PEG 550 monomethyl ether, 880 mM NaCl, 100mMHepes (pH 7.0 buffer), and 16mMCdCl2 |
