4XY5
Crystal Structure of mutant (Asp52Ala) 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 | 2014-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9196 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 45.006, 45.594, 112.368 |
| Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
| Resolution | 28.884 - 1.800 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i82 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.997 |
| 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] | 31.980 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.041 | 0.087 |
| Number of reflections | 20838 | |
| <I/σ(I)> | 21.6 | 11.6 |
| Completeness [%] | 97.4 | 97.4 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | PEG400, 100mM HEPES pH7.5, 200mM Magnesium Chloride. |
