6XZ0
Crystal structure of spectinomycin adenyltransferase AAD(9) from Enterococcus faecialis with spectinomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | I 4 |
Unit cell lengths | 99.561, 99.561, 61.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.780 - 2.800 |
R-factor | 0.2486 |
Rwork | 0.245 |
R-free | 0.30260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sxj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.634 |
Data reduction software | XDS (1.15.2_3472) |
Data scaling software | Aimless (1.15.2_3472) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.800 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.100 | 1.500 |
Rmeas | 0.100 | |
Number of reflections | 7509 | 751 |
<I/σ(I)> | 19.8 | |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 22.9 | |
CC(1/2) | 0.900 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | 10% w/v PEG 4000, 20% v/v glycerol, 0.02 M of each alcohol (0.2 M 1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2-propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol), 0.1 M bicine/Trizma base pH 8.5) were soaked with 10 mM ATP, 10 mM magnesium and spectinomycin powder for 30 seconds |