4IZD
Crystal structure of DmdD E121A in complex with MMPA-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 117.130, 117.130, 117.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.320 - 1.800 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.18700 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.457 |
| Number of reflections | 49628 | |
| <I/σ(I)> | 32.6 | 4.5 |
| Completeness [%] | 99.6 | 96 |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris, 25% (w/v) PEG 3350,200 mM NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
