4I82
Crystal Structure of 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 | 2012-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.260, 118.470, 87.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.770 - 2.500 |
| R-factor | 0.24074 |
| Rwork | 0.238 |
| R-free | 0.28603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lbb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.585 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.220 | 2.620 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 8159 | |
| Completeness [%] | 93.6 | 83.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 200mM Ammonium Tartrate dibasic, 20% PEG 3350, 100mM Tris pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
