3OUL
Crystal Structure of toxoflavin-degrading enzyme in a substrate-free form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.2398 |
Spacegroup name | H 3 |
Unit cell lengths | 110.377, 110.377, 56.787 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
Rwork | 0.195 |
R-free | 0.21970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | structure from MAD data using a different mutant |
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 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.064 | 0.275 |
Number of reflections | 32823 | |
Completeness [%] | 98.5 | 88.5 |
Redundancy | 6.1 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M CAPS, pH 10.5, 0.2M LiSO4, 1.2M NaH2PO4/0.8M K2HPO4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |