7LBZ
Zoogloea ramigera biosynthetic thiolase Y218E 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 | 2018-07-05 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.344, 79.701, 149.758 |
| Unit cell angles | 90.00, 92.90, 90.00 |
Refinement procedure
| Resolution | 46.570 - 2.600 |
| R-factor | 0.3232 |
| Rwork | 0.306 |
| R-free | 0.32010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.556 |
| 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] | 46.570 | 46.570 | 2.670 |
| High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
| Rmerge | 0.554 | 0.103 | 2.416 |
| Rmeas | 0.606 | 0.114 | 2.637 |
| Rpim | 0.243 | 0.047 | 1.051 |
| Total number of observations | 386462 | 4128 | 28836 |
| Number of reflections | 61378 | 726 | 4522 |
| <I/σ(I)> | 3.8 | 9.3 | 1.1 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 6.3 | 5.7 | 6.4 |
| CC(1/2) | 0.948 | 0.987 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 289 | 1 M (NH4)2SO4, 1 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |
