4S0M
Crystal Structure of nucleoside diphosphate kinase at 1.92 A resolution from acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-11-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.924, 71.381, 129.427 |
| Unit cell angles | 90.00, 93.71, 90.00 |
Refinement procedure
| Resolution | 31.679 - 1.922 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vgu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.071 | 0.491 |
| Number of reflections | 93429 | |
| <I/σ(I)> | 36.9 | 3.3 |
| Completeness [%] | 98.2 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 30% PEG4000, 0.2 M AMMONIUM ACETATE,MgCl2, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
