7QF6
N(5)-hydroxyornithine:cis-anhydromevalonyl coenzyme A-N(5)-transacylase sidF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-09-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.274, 80.839, 179.840 |
| Unit cell angles | 101.17, 91.67, 117.25 |
Refinement procedure
| Resolution | 174.820 - 1.870 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.972 |
| Data reduction software | autoPROC (1.0.5) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 174.820 | 174.820 | 1.900 |
| High resolution limit [Å] | 1.870 | 10.240 | 1.870 |
| Rmerge | 0.066 | 0.032 | 0.501 |
| Rmeas | 0.071 | 0.035 | 0.543 |
| Rpim | 0.027 | 0.014 | 0.206 |
| Total number of observations | 2129682 | 11246 | 104836 |
| Number of reflections | 313786 | 1904 | 15389 |
| <I/σ(I)> | 17 | 43.2 | 3.6 |
| Completeness [%] | 97.1 | 97.1 | 96.2 |
| Redundancy | 6.8 | 5.9 | 6.8 |
| CC(1/2) | 0.999 | 0.999 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18-20% PEG 3350, 0.2-0.24 M potassium thiocyanate |
