8K51
Crystal structure of arylamine N-acyltransferase from Streptomyces aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-27 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.410, 88.850, 127.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.750 - 2.150 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.873 |
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] | 56.130 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.246 | 1.563 |
Rmeas | 0.256 | 1.624 |
Rpim | 0.070 | 0.437 |
Total number of observations | 607655 | 45551 |
Number of reflections | 45471 | 3317 |
<I/σ(I)> | 13.3 | 2.2 |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | 13.7 |
CC(1/2) | 0.998 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES sodium pH 7.5, 1.5 M Lithium sulfate monohydrate |