7LDU
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E/delH221 mutant
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 | 2018-09-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.853, 79.152, 150.959 |
| Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
| Resolution | 46.791 - 2.850 |
| R-factor | 0.2418 |
| Rwork | 0.240 |
| R-free | 0.28220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.525 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.791 | 46.790 | 2.950 |
| High resolution limit [Å] | 2.850 | 11.040 | 2.850 |
| Rmerge | 0.581 | 0.170 | 1.509 |
| Rmeas | 0.677 | 0.200 | 1.757 |
| Rpim | 0.346 | 0.104 | 0.896 |
| Total number of observations | 2954 | 17133 | |
| Number of reflections | 46348 | 848 | 4506 |
| <I/σ(I)> | 1.9 | 4.7 | 0.7 |
| Completeness [%] | 99.8 | 98.5 | 99.9 |
| Redundancy | 3.8 | 3.5 | 3.8 |
| CC(1/2) | 0.813 | 0.977 | 0.349 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 289 | 1.8 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |
