4XY6
Crystal Structure of mutant (Thr68Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 46.370, 119.180, 48.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.576 - 2.000 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i82 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.170 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.146 |
Number of reflections | 9368 | |
<I/σ(I)> | 13.1 | 8.3 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.1 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 296 | 14% PEG3350, 100mM Tris pH6.0, 200mM magnesium chloride. |