6VLY
Crystal structure of FabI-NADH complex from Alistipes finegoldii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.313, 111.537, 150.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.090 - 1.860 |
R-factor | 0.1602 |
Rwork | 0.158 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vlx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.463 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.090 | 1.910 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 512333 | 34973 |
<I/σ(I)> | 12.6 | 1.7 |
Completeness [%] | 98.7 | 94.1 |
Redundancy | 4.9 | 4.7 |
CC(1/2) | 0.997 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | Crystallization: 12.5% PEG 1000, 200 mM NaCl, 100 mM MES pH 6.0, Cryo: 12.5% PEG 1000, 200 mM NaCl, 100 mM MES pH 6.0, 25% glycerol |