7RCX
Crystal structure of C. difficile penicillin-binding protein 2 in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2020-07-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98557 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.300, 122.460, 70.730 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 48.860 - 2.850 |
| R-factor | 0.2114 |
| Rwork | 0.208 |
| R-free | 0.27230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g9f |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.377 |
| 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] | 48.860 | 48.810 | 3.000 |
| High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
| Rmerge | 0.081 | 0.032 | 0.483 |
| Rmeas | 0.098 | 0.039 | 0.584 |
| Rpim | 0.054 | 0.022 | 0.325 |
| Total number of observations | 2518 | 9259 | |
| Number of reflections | 23251 | 793 | 3142 |
| <I/σ(I)> | 10.6 | 28.8 | 2.1 |
| Completeness [%] | 92.2 | 96.2 | 86 |
| Redundancy | 3.1 | 3.2 | 2.9 |
| CC(1/2) | 0.994 | 0.991 | 0.753 |
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 |
