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 |