4PIP
Engineered EgtD variant EgtD-M252V,E282A in complex with tryptophan and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.045, 67.634, 112.125 |
| Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
| Resolution | 41.856 - 1.800 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pio |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.104 |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.856 | 41.856 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.043 | 0.587 | |
| Rmeas | 0.128 | ||
| Rpim | 0.065 | 0.025 | 0.351 |
| Total number of observations | 391092 | 12478 | 56192 |
| Number of reflections | 103604 | ||
| <I/σ(I)> | 7.4 | 15.6 | 2.1 |
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% w/v PEG3350, 0.2 M magnesium acetate |
