3PDI
Precursor bound NifEN
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-25 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.033, 1.738 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 146.070, 95.220, 149.980 |
| Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
| Resolution | 39.829 - 2.400 |
| R-factor | 0.299 |
| Rwork | 0.294 |
| R-free | 0.34070 |
| Structure solution method | MR/SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.705 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.427 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 139605 | |
| Completeness [%] | 98.9 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7.5 | 297 | 20% PEG 3350, 0.2M Magnersium Nitrate, pH 7.5, LIQUID DIFFUSION, temperature 297K |
