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 |