9FYB
Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies
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 | 2022-03-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.449, 107.344, 62.344 |
Unit cell angles | 90.00, 128.96, 90.00 |
Refinement procedure
Resolution | 46.590 - 1.840 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.066 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | MrBUMP |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.450 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.098 | |
Rmeas | 0.106 | |
Rpim | 0.040 | |
Number of reflections | 41063 | 2032 |
<I/σ(I)> | 11.4 | 0.3 |
Completeness [%] | 98.3 | 97.55 |
Redundancy | 7.1 | 7.4 |
CC(1/2) | 0.997 | 0.226 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 15 mg/mL EfNNAT in 50 mM HEPES (pH 7.2), 150 mM NaCl, 0.02 % (w/v) NaN3 and 1 mM DTT, 2 mM NMN and 5mM MgCl2 with the crystallization condition consisting of 1.26 M sodium phosphate monobasic monohydrate, 0.14M potassium phosphate dibasic (pH 5.6) and 20% 3350 polyethylene glycol. |