8F7F
The condensation domain of surfactin A synthetase C in space group P43212
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.652, 75.652, 228.574 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.600 - 1.620 |
| R-factor | 0.1799 |
| Rwork | 0.179 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.064 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmeas | 0.173 | |
| Number of reflections | 83059 | 4057 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 98.0 | 97.2 |
| Redundancy | 7.6 | 6 |
| CC(1/2) | 0.975 | 0.432 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4% (wt/v) PEG 8K and 20% (v/v) glycerol |
