3RLM
Structure of the W199F MauG/pre-Methylamine Dehydrogenase complex after treatment with hydrogen peroxide
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 | 2010-06-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03322 |
Spacegroup name | P 1 |
Unit cell lengths | 55.530, 83.520, 107.780 |
Unit cell angles | 109.94, 91.54, 105.78 |
Refinement procedure
Resolution | 44.490 - 2.130 |
R-factor | 0.18406 |
Rwork | 0.181 |
R-free | 0.23679 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.542 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.5.0109) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.170 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.071 | 0.347 |
Number of reflections | 95544 | |
<I/σ(I)> | 10.325 | 2.111 |
Completeness [%] | 94.6 | 82.9 |
Redundancy | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 0.1M MES, 0.1M sodium acetate, 23-25% w/v PEG 8000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |