4O1G
MTB adenosine kinase in complex with gamma-Thio-ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 54.843, 72.410, 82.430 |
| Unit cell angles | 90.00, 99.44, 90.00 |
Refinement procedure
| Resolution | 40.660 - 1.500 |
| R-factor | 0.1868 |
| Rwork | 0.186 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.486 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.660 | 1.580 | |
| High resolution limit [Å] | 1.490 | 4.450 | 1.490 |
| Rmerge | 0.032 | 0.021 | 0.606 |
| Rmeas | 0.025 | 0.701 | |
| Number of reflections | 51801 | 1998 | 8321 |
| <I/σ(I)> | 21.29 | 59.58 | 2.26 |
| Completeness [%] | 99.6 | 99 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
