3ZG0
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
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 | 80.760, 102.670, 187.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.480 - 2.600 |
R-factor | 0.1885 |
Rwork | 0.182 |
R-free | 0.26780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vqq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.170 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.120 | 0.780 |
Number of reflections | 48731 | |
<I/σ(I)> | 14.7 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |