4ZRB
Crystal Structure of Hypothetical Thioesterase Protein SP_1851 with Coenzyme A 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 | 2014-08-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.160, 71.860, 82.430 |
| Unit cell angles | 82.65, 81.38, 79.65 |
Refinement procedure
| Resolution | 81.060 - 2.200 |
| R-factor | 0.20455 |
| Rwork | 0.203 |
| R-free | 0.23660 |
| 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] | 81.060 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.128 | 0.692 |
| Number of reflections | 54113 | |
| <I/σ(I)> | 6.5 | 2.3 |
| Completeness [%] | 95.0 | 96.3 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 296 | 0.2M Lithium sulfate, 0.1M TrisHCl, 30% PEG4000 |
