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 |