3SWS
Crystal Structure of the Quinone Form of Methylamine Dehydrogenase in Complex with the Diferric Form of MauG
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 | 2010-06-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03322 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.222, 99.422, 102.832 |
| Unit cell angles | 64.77, 74.77, 75.14 |
Refinement procedure
| Resolution | 49.120 - 1.860 |
| R-factor | 0.13833 |
| Rwork | 0.136 |
| R-free | 0.17820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l4m |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.142 |
| 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 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 154080 | |
| <I/σ(I)> | 13.9 | 3 |
| Completeness [%] | 97.5 | 95.8 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | Drops contained 1uL protein with 3uL reservoir solution. Protein solution: 100uM WT-MauG and 50uM MADH in 10mM potassium phosphate pH 7.5. Reservoir solution contained: 25% w/v PEG 8000, 0.1M sodium acetate, 0.1M MES pH 6.2., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
