3DHH
Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein
Experimental procedure
| Experimental method | molecular replacement |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 91 |
| Detector technology | CCD |
| Collection date | 2008-02-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.418, 115.613, 182.403 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.290 - 1.940 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.392 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 4.180 | 1.940 |
| Rmerge | 0.054 | 0.036 | 0.203 |
| Number of reflections | 77912 | ||
| Completeness [%] | 99.6 | 97.7 | 100 |
| Redundancy | 7.3 | 7 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | AMMONIUM ACETATE, PEG 3350, BIS-TRIS, pH 6.5, vapor diffusion, temperature 291K |
