8F67
Crystal structure of the refolded Penicillin Binding Protein 5 (PBP5) of Enterococcus faecium
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 | 2019-03-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 190.937, 331.666, 156.179 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.630 - 3.590 |
R-factor | 0.1813 |
Rwork | 0.180 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mka |
RMSD bond length | 0.002 |
RMSD bond angle | 0.430 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.630 | 3.680 |
High resolution limit [Å] | 3.590 | 3.590 |
Rmerge | 0.293 | 1.096 |
Rmeas | 0.317 | 1.197 |
Rpim | 0.121 | 0.470 |
Total number of observations | 393565 | 26257 |
Number of reflections | 57949 | 4185 |
<I/σ(I)> | 8 | 3.5 |
Completeness [%] | 99.3 | |
Redundancy | 6.8 | 6.3 |
CC(1/2) | 0.977 | 0.605 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M MES pH 6.0, 3.0 M ammonium sulfate |