7RCW
Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin
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 | 2020-04-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.910, 200.190, 70.680 |
| Unit cell angles | 90.00, 100.11, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.1998 |
| Rwork | 0.197 |
| R-free | 0.25960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g9f |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.540 |
| Data reduction software | iMOSFLM |
| 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] | 50.000 | 49.340 | 3.160 |
| High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
| Rmerge | 0.115 | 0.044 | 0.659 |
| Rmeas | 0.132 | 0.051 | 0.755 |
| Rpim | 0.063 | 0.024 | 0.358 |
| Total number of observations | 4094 | 15473 | |
| Number of reflections | 30882 | 968 | 4293 |
| <I/σ(I)> | 9.2 | 19.1 | 2.4 |
| Completeness [%] | 90.2 | 87.6 | 86.1 |
| Redundancy | 3.6 | 4.2 | 3.6 |
| CC(1/2) | 0.989 | 0.990 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG 4000, 0.2 M AmSO4, and 0.1 M Na Citrate pH 5.6 |
