7LDC
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E mutant
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 | 83.725, 79.554, 151.539 |
| Unit cell angles | 90.00, 93.95, 90.00 |
Refinement procedure
| Resolution | 34.710 - 2.500 |
| R-factor | 0.2214 |
| Rwork | 0.219 |
| R-free | 0.25970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.710 | 34.710 | 2.560 |
| High resolution limit [Å] | 2.500 | 11.990 | 2.500 |
| Rmerge | 0.376 | 0.134 | 2.214 |
| Rmeas | 0.409 | 0.145 | 2.415 |
| Rpim | 0.158 | 0.055 | 0.952 |
| Total number of observations | 455151 | 4257 | 27691 |
| Number of reflections | 69005 | 646 | 4411 |
| <I/σ(I)> | 4.2 | 8.9 | 0.9 |
| Completeness [%] | 99.9 | 95.5 | 100 |
| Redundancy | 6.6 | 6.6 | 6.3 |
| CC(1/2) | 0.969 | 0.985 | 0.307 |
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 |
