3I5J
Diferric Resting State Toluene 4-Monooxygenase HD complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-11 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 100.405, 115.693, 181.307 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.540 - 1.900 |
R-factor | 0.16114 |
Rwork | 0.159 |
R-free | 0.20715 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 1.831 |
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] | 90.540 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 83188 | |
Completeness [%] | 97.4 | 86.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 24% PEG 3350, 200 mM Ammonium Chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |