4ZRF
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 MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.180, 118.440, 86.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.860 |
| R-factor | 0.21825 |
| Rwork | 0.216 |
| R-free | 0.25391 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lbb |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.010 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.092 | 0.271 |
| Number of reflections | 20211 | |
| <I/σ(I)> | 7.7 | 2.9 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 4.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 200mM Ammonium Tartrate dibasic, 20% PEG 3350, 100mM Tris pH7.5 |
