3RI7
Toluene 4 monooxygenase HD Mutant G103L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97942 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 100.798, 116.170, 182.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 2.100 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.934 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.077 | 0.028 | 0.630 |
Number of reflections | 62395 | ||
<I/σ(I)> | 10.6 | ||
Completeness [%] | 99.7 | 99.8 | 97.4 |
Redundancy | 7.3 | 7.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Protein Solution (200 mM Ammonium acetate, 18% PEG 3350 .1 M Bis-Tris), pH 6.0, vapor diffusion, hanging drop, temperature 298K |