7RCZ
Crystal structure of C. difficile SpoVD 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 | 2020-11-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.640, 95.620, 176.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.580 - 2.200 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6un1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.518 |
| 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] | 49.580 | 49.530 | 2.250 |
| High resolution limit [Å] | 2.200 | 10.080 | 2.200 |
| Rmerge | 0.105 | 0.082 | 0.500 |
| Rmeas | 0.123 | 0.097 | 0.586 |
| Rpim | 0.063 | 0.049 | 0.299 |
| Total number of observations | 2288 | 15119 | |
| Number of reflections | 62415 | 623 | 4472 |
| <I/σ(I)> | 7.3 | 14.2 | 2.5 |
| Completeness [%] | 94.6 | 81.5 | 96.8 |
| Redundancy | 3.5 | 3.7 | 3.4 |
| CC(1/2) | 0.985 | 0.959 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15 % PEG 3350, 0.2 M AmSO4, 10 % PropOH, 0.1 M Na Citrate pH 5.6 |
