6ZE6
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-nitrocatechol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.565, 109.746, 116.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.063 - 1.260 |
R-factor | 0.1144 |
Rwork | 0.113 |
R-free | 0.14714 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ze2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.839 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.063 | 1.280 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.060 | 0.978 |
Rmeas | 0.065 | 1.076 |
Rpim | 0.024 | 0.439 |
Number of reflections | 314691 | 14281 |
<I/σ(I)> | 16.5 | 1.7 |
Completeness [%] | 98.3 | 91 |
Redundancy | 7.4 | 5.7 |
CC(1/2) | 1.000 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 17 % (w/v) PEG MME 5000, 0.1 M sodium acetate, pH 5.5, 0.16 M magnesium formate, 20 mM MgCl2, protein concentration 8 mg/ml |