7LD2
Zoogloea ramigera biosynthetic thiolase Q183Y mutant, RbCl soak
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 | 2018-08-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.679, 79.681, 149.603 |
| Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
| Resolution | 34.830 - 2.800 |
| R-factor | 0.2359 |
| Rwork | 0.234 |
| R-free | 0.27090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.476 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.830 | 34.830 | 2.890 |
| High resolution limit [Å] | 2.800 | 11.200 | 2.800 |
| Rmerge | 0.359 | 0.077 | 1.317 |
| Rmeas | 0.429 | 0.092 | 1.562 |
| Rpim | 0.233 | 0.049 | 0.833 |
| Total number of observations | 163344 | 2574 | 15548 |
| Number of reflections | 49092 | 788 | 4507 |
| <I/σ(I)> | 2.7 | 7.2 | 0.7 |
| Completeness [%] | 99.6 | 95.5 | 99.9 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.912 | 0.992 | 0.317 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 289 | 0.4 M (NH4)2SO4, 0.5 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |
