3PKW
Crystal Structure of Toxoflavin Lyase (TflA) bound to Mn(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9177 |
Spacegroup name | H 3 |
Unit cell lengths | 110.856, 110.856, 55.734 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.100 - 1.800 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.22270 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.054 | 0.034 | 0.371 |
Number of reflections | 23624 | ||
<I/σ(I)> | 23.6 | ||
Completeness [%] | 99.6 | 96.8 | 100 |
Redundancy | 3.9 | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 295 | 1.2M NaH2PO4, 0.8M K2HPO4, 0.1M CAPS (pH 10.5), 0.2M Li2SO4, vapor diffusion, hanging drop, temperature 295K |