7RC5
Aeronamide N-methyltransferase, AerE (N231A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-11-06 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.518, 77.518, 151.794 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.280 - 1.880 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7rc2 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.133 | 1.908 |
| High resolution limit [Å] | 1.876 | 1.876 |
| Rmerge | 0.104 | 1.550 |
| Rpim | 0.025 | 0.464 |
| Number of reflections | 35665 | 1591 |
| <I/σ(I)> | 18.4 | 1.8 |
| Completeness [%] | 81.0 | 74.1 |
| Redundancy | 17.5 | 11.6 |
| CC(1/2) | 0.999 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 35% PEG 300, 0.1 M sodium cacodylate pH 6.5, 0.2 M calcium acetate |
