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 |