6UE2
1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.983, 93.200, 137.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.560 - 1.850 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19680 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.428 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.074 | 0.794 |
| Rmeas | 0.079 | 0.871 |
| Rpim | 0.030 | 0.353 |
| Number of reflections | 93218 | 4591 |
| <I/σ(I)> | 25.6 | 2.3 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 7.1 | 5.9 |
| CC(1/2) | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 8.25 mg/ml, 0.01M Tris pH 8.3; Screen: PACT (C4), 0.1 M PCB buffer pH 7.0, 25% (w/v) PEG 1500 |
