3U1T
Haloalkane Dehalogenase, DmmA, of marine microbial origin
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 | 2007-11-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97939 |
| Spacegroup name | P 62 |
| Unit cell lengths | 99.784, 99.784, 122.004 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.390 - 2.200 |
| R-factor | 0.14079 |
| Rwork | 0.139 |
| R-free | 0.17728 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.195 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.10) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.122 | 0.047 | 0.549 |
| Number of reflections | 35045 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 5.8 | 5.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.2 M sodium malonate pH 7.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
