6HF7
Crystal structure of the adenylate kinase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.64 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 131.326, 131.326, 88.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.920 - 1.960 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.19000 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.480 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rpim | 0.027 | 0.380 |
| Number of reflections | 55867 | |
| <I/σ(I)> | 23.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 24.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25 % PEP 629, 50 mM Magnesium chloride, 0.1M HEPES pH 7.5, 0.01M TbXo4 |
