6IAQ
Structure of Amine Dehydrogenase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-11-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.390, 147.910, 97.780 |
| Unit cell angles | 90.00, 98.18, 90.00 |
Refinement procedure
| Resolution | 48.150 - 1.910 |
| R-factor | 0.20197 |
| Rwork | 0.200 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6GET |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.591 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 1.940 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.050 | 0.720 |
| Rpim | 0.040 | 0.600 |
| Number of reflections | 110014 | 5416 |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 98.6 | 98.7 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 1.000 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 0.1 M bis-Tris pH 6.5; 0.2 M Magnesium Chloride; 10 mM NADP+ |
