8GLC
A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket
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 | PIXEL |
| Collection date | 2021-10-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9536 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 261.925, 261.925, 261.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.820 - 3.120 |
| R-factor | 0.2315 |
| Rwork | 0.229 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gic |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.682 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.820 | 3.236 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Rmerge | 0.025 | |
| Rpim | 0.025 | |
| Number of reflections | 27241 | 2636 |
| <I/σ(I)> | 13.92 | |
| Completeness [%] | 99.4 | |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 1.6 M Magnesium sulfate, 100 mM MES; pH 6.5 |
