4PTA
Structure of MDR initiator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 101.460, 101.460, 62.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.620 - 2.600 |
| R-factor | 0.231 |
| Rwork | 0.225 |
| R-free | 0.28100 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.648 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.057 | 0.313 |
| Number of reflections | 5166 | |
| <I/σ(I)> | 13.8 | 2.7 |
| Completeness [%] | 99.0 | 91.7 |
| Redundancy | 3.5 | 2.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 275 | 1 M Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 275K |
