5XZ2
Crystal structure of adenylate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.570, 52.451, 89.313 |
| Unit cell angles | 90.00, 118.46, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.18779 |
| Rwork | 0.186 |
| R-free | 0.22926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x6k |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.120 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.115 | 0.756 |
| Rpim | 0.046 | 0.310 |
| Number of reflections | 41960 | 4159 |
| <I/σ(I)> | 19.6 | 3.8 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1M sodium acetate pH 4.6, 2.5M ammonium sulfate |
