3I63
Peroxide Bound Toluene 4-Monooxygenase
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 | IMAGE PLATE |
Collection date | 2008-12-11 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 98.792, 116.929, 181.608 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 2.090 |
R-factor | 0.15871 |
Rwork | 0.156 |
R-free | 0.20116 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.837 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 2.140 |
High resolution limit [Å] | 2.090 | 2.090 |
Number of reflections | 58829 | |
Completeness [%] | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | .1 M Bis-Tris, 200 mM Ammonium Acetate, 24% PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |