3ZFZ
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS |
| Synchrotron site | SLS |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.520, 101.480, 187.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.760 - 2.250 |
| R-factor | 0.1977 |
| Rwork | 0.194 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vqq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.760 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.090 | 0.690 |
| Number of reflections | 73548 | |
| <I/σ(I)> | 16.7 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
