5B3L
C101S mutant of Flavodoxin from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2014-11-30 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 98.678, 98.678, 32.173 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.21819 |
Rwork | 0.216 |
R-free | 0.26923 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.090 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.800 |
Number of reflections | 16694 |
<I/σ(I)> | 37.6 |
Completeness [%] | 98.7 |
Redundancy | 21.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 2.0M Ammonium sulfate, 0.1M HEPES sodium, 2% PEG 400 |