7RC6
Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-07 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 78.029, 78.029, 153.399 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.780 - 1.710 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.18760 |
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] | 67.575 | 1.744 |
High resolution limit [Å] | 1.710 | 1.715 |
Rmerge | 0.084 | 1.047 |
Rpim | 0.023 | 0.327 |
Number of reflections | 58778 | 2903 |
<I/σ(I)> | 20 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.8 | 11.1 |
CC(1/2) | 1.000 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 282 | 18% PEG 3350, 0.1 M sodium citrate pH 4.0, 0.2 M sodium citrate |