7RD0
Crystal structure of C. difficile penicillin-binding protein 3 in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.020, 114.220, 154.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.980 - 2.400 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lp4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.533 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.980 | 45.940 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.084 | 0.028 | 1.005 |
| Rmeas | 0.093 | 0.032 | 1.104 |
| Rpim | 0.038 | 0.015 | 0.453 |
| Total number of observations | 3110 | 17970 | |
| Number of reflections | 29788 | 634 | 3097 |
| <I/σ(I)> | 8.3 | 14.8 | 2 |
| Completeness [%] | 99.9 | 98.7 | 99.9 |
| Redundancy | 5.7 | 4.9 | 5.8 |
| CC(1/2) | 0.992 | 0.975 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG 4000, 0.2 M AmSO4, 0.1 M Na Citrate pH 5.6 |
