5TDU
Toluene 4-monooxygenase (T4moHD) bound to product after turnover in crystal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98757 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.237, 116.003, 180.721 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.848 - 1.742 |
R-factor | 0.1403 |
Rwork | 0.140 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dhh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.957 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1957) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.610 | |
Number of reflections | 103656 | |
<I/σ(I)> | 27.5 | 2.83 |
Completeness [%] | 99.4 | 87.5 |
Redundancy | 7.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM Bis-Tris ph 6.0, 18% PEG 3350, 200 mM Ammonium Chloride, 10 mM Dithionite, 2 mM Methylviologen |