3FNI
Crystal structure of a diflavin flavoprotein A3 (all3895) from Nostoc sp., Northeast Structural Genomics Consortium Target NsR431A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.96863 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.096, 66.301, 75.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25200 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX (then SOLVE/RESOLVE) |
Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.169 |
Number of reflections | 12184 | |
<I/σ(I)> | 25.44 | 12.4 |
Completeness [%] | 98.7 | 100 |
Redundancy | 6.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch under oil | 7.5 | 277 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution:100 mM HEPES (pH 7.5), 40% PEG 4k, and 100 mM Magnesium Acetate. , Microbatch under oil, temperature 277K |