7LJL
Structure of the Enterobacter cloacae CD-NTase CdnD in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-04-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.074, 101.372, 68.364 |
| Unit cell angles | 90.00, 117.61, 90.00 |
Refinement procedure
| Resolution | 38.870 - 1.450 |
| R-factor | 0.1522 |
| Rwork | 0.152 |
| R-free | 0.16520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house model of the selenomethionine substituted protein determined using SAD phasing |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.042 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.870 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rpim | 0.025 | 0.558 |
| Number of reflections | 140248 | 6821 |
| <I/σ(I)> | 13.8 | 1.4 |
| Completeness [%] | 99.5 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM MES pH 6.5, 19 to 21% PEG-1000, MgCl2, ATP |
