6ULX
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.274, 103.274, 172.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.030 - 2.310 |
R-factor | 0.2228 |
Rwork | 0.222 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.570 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.420 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.045 | 0.593 |
Number of reflections | 41902 | 4027 |
<I/σ(I)> | 11 | 1.9 |
Completeness [%] | 99.8 | |
Redundancy | 13.2 | 13.8 |
CC(1/2) | 0.997 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 1.75 M ammonium sulfate, 22.5% v/v glycerol, 3% w/v trimethylamine N-oxide |