3GE8
Toluene 4-monooxygenase HD T201A diferric, resting state 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 | IMAGE PLATE |
| Collection date | 2008-04-17 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | .97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.288, 115.388, 180.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.170 - 2.190 |
| R-factor | 0.16406 |
| Rwork | 0.161 |
| R-free | 0.22924 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dhh |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.783 |
| 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] | 50.000 | |
| High resolution limit [Å] | 2.150 | 2.190 |
| Number of reflections | 108513 | |
| Completeness [%] | 93.7 | 99.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 200 mM Na Acetate, 100 mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
