3H6D
Structure of the mycobacterium tuberculosis DUTPase D28N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 55.228, 55.228, 83.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.160 - 1.800 |
| R-factor | 0.1602 |
| Rwork | 0.158 |
| R-free | 0.20733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2py4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.741 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.471 |
| Number of reflections | 13348 | |
| <I/σ(I)> | 14.58 | 2.41 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 3.39 | 2.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 298 | 1.45 M Ammonium sulphate, 50 mM Tris, 12% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
