7KCV
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.5212 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.090, 82.430, 104.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.810 - 1.600 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.19760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6c39 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.119 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (dev 3965) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.160 | 45.160 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.050 | 0.029 | 1.287 |
| Rmeas | 0.055 | 0.032 | 1.436 |
| Rpim | 0.022 | 0.013 | 0.620 |
| Total number of observations | 348189 | 2361 | 14173 |
| Number of reflections | 57721 | 423 | 2819 |
| <I/σ(I)> | 17.5 | 52.3 | 1.1 |
| Completeness [%] | 99.7 | 99.4 | 99.6 |
| Redundancy | 6 | 5.6 | 5 |
| CC(1/2) | 0.999 | 0.999 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 12% PEG 6000; 100 mM sodium acetate, pH 5; and 10 mM zinc chloride |
