4A6A
A115V variant of dCTP deaminase-dUTPase from Mycobacterium tuberculosis in complex with dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.590, 179.510, 99.810 |
| Unit cell angles | 90.00, 96.28, 90.00 |
Refinement procedure
| Resolution | 49.420 - 2.900 |
| R-factor | 0.25478 |
| Rwork | 0.253 |
| R-free | 0.28985 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 99.000 |
| High resolution limit [Å] | 2.900 |
| Rmerge | 0.180 |
| Number of reflections | 43288 |
| <I/σ(I)> | 7.01 |
| Completeness [%] | 98.7 |
| Redundancy | 3.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
