7LCA
Zoogloea ramigera biosynthetic thiolase 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 | 2018-07-05 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.450, 79.340, 149.140 |
| Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
| Resolution | 46.430 - 2.000 |
| R-factor | 0.3255 |
| Rwork | 0.261 |
| R-free | 0.28280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.578 |
| 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] | 46.430 | 46.430 | 2.040 |
| High resolution limit [Å] | 2.000 | 10.970 | 2.000 |
| Rmerge | 0.453 | 0.098 | 3.095 |
| Rmeas | 0.489 | 0.107 | 3.389 |
| Rpim | 0.181 | 0.040 | 1.352 |
| Total number of observations | 945765 | 5793 | 36673 |
| Number of reflections | 132236 | 864 | 6307 |
| <I/σ(I)> | 4 | 11.7 | 0.6 |
| Completeness [%] | 99.8 | 98.8 | 96.2 |
| Redundancy | 7.2 | 6.7 | 5.8 |
| CC(1/2) | 0.967 | 0.994 | 0.288 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 289 | 1.3 M (NH4)2SO4, 0.5 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |
