7LDT
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E 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 | 84.244, 79.758, 150.583 |
| Unit cell angles | 90.00, 93.71, 90.00 |
Refinement procedure
| Resolution | 34.820 - 2.600 |
| R-factor | 0.1968 |
| Rwork | 0.195 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.586 |
| 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] | 34.820 | 34.820 | 2.670 |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.291 | 0.073 | 1.337 |
| Rmeas | 0.340 | 0.085 | 1.578 |
| Rpim | 0.175 | 0.044 | 0.829 |
| Total number of observations | 223484 | 2402 | 15856 |
| Number of reflections | 61337 | 692 | 4550 |
| <I/σ(I)> | 4.9 | 11.2 | 1.3 |
| Completeness [%] | 99.5 | 94.5 | 99.7 |
| Redundancy | 3.6 | 3.5 | 3.5 |
| CC(1/2) | 0.955 | 0.994 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 289 | 0.44 M (NH4)2SO4, 1.76 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |
