3LOJ
Structure of Mycobacterium tuberculosis dUTPase H145A 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 | 2009-12-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9769 |
Spacegroup name | P 63 |
Unit cell lengths | 54.591, 54.591, 83.051 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.250 |
Rwork | 0.128 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2py4 |
RMSD bond length | 0.016 |
RMSD bond angle | 0.035 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.300 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.041 | 0.631 |
Number of reflections | 39304 | |
<I/σ(I)> | 24.73 | 3.87 |
Completeness [%] | 98.5 | 97.2 |
Redundancy | 9 | 8.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Ammonium Sulphate, Tris-HCl, Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |