3DD9
Structure of DocH66Y dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2007-10-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8081 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.084, 197.988, 54.109 |
| Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
| Resolution | 14.986 - 2.450 |
| R-factor | 0.2132 |
| Rwork | 0.211 |
| R-free | 0.24540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dd7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.565 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.100 | 0.680 |
| Number of reflections | 40809 | |
| <I/σ(I)> | 7.7 | 2.2 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG10000, 0.1M TRIS, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
