7RC3
Aeronamide N-methyltransferase, AerE (Y137F)
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 | 2019-02-06 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 77.697, 77.697, 152.239 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.520 - 1.530 |
R-factor | 0.1651 |
Rwork | 0.164 |
R-free | 0.18400 |
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] | 67.287 | 1.553 |
High resolution limit [Å] | 1.526 | 1.526 |
Rmerge | 0.094 | 1.296 |
Rpim | 0.023 | |
Number of reflections | 81532 | 4014 |
<I/σ(I)> | 17 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 17 | 15.6 |
CC(1/2) | 1.000 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 37.5% PEG 300, 0.1 M sodium cacodylate pH 6.5, 0.2 M calcium acetate |