3OUM
Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6C1 |
Synchrotron site | PAL/PLS |
Beamline | 6C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.2398 |
Spacegroup name | H 3 |
Unit cell lengths | 111.008, 111.008, 57.438 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
Rwork | 0.219 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | structure from MAD data using a different mutant |
RMSD bond length | 0.009 |
RMSD bond angle | 1.442 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.072 | 0.072 |
Number of reflections | 17131 | |
<I/σ(I)> | 5 | |
Completeness [%] | 89.3 | 99.9 |
Redundancy | 6.3 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 295 | 0.1M CAPS, 0.2M LiSO4, 1.2M NaH2PO4/0.8M K2HPO4, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |