6AES
Crystal structure of Nucleoside diphosphate kinase from Pseudomonas aeruginosa at 3.55 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.953 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.566, 70.875, 71.097 |
| Unit cell angles | 99.60, 109.12, 90.25 |
Refinement procedure
| Resolution | 45.980 - 3.550 |
| R-factor | 0.28852 |
| Rwork | 0.286 |
| R-free | 0.33174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yol |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.729 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.980 | 3.640 |
| High resolution limit [Å] | 3.550 | 3.550 |
| Number of reflections | 14065 | 1005 |
| <I/σ(I)> | 3.8 | 1.5 |
| Completeness [%] | 97.5 | 98.8 |
| Redundancy | 18.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Sodium Malonate, 20% PEG 3350, PH-8.0. |
