4XPI
Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.804, 130.830, 108.110 |
| Unit cell angles | 90.00, 111.14, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.970 |
| R-factor | 0.21557 |
| Rwork | 0.213 |
| R-free | 0.26359 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.922 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.800 |
| High resolution limit [Å] | 1.970 |
| Number of reflections | 141514 |
| <I/σ(I)> | 2.5 |
| Completeness [%] | 96.4 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8 | 298 | 30% PEG 4000, 100mM Tris-HCl pH 8.0, 170-190mM Sodium molybdate and 1mM Dithionite, LIQUID DIFFUSION, temperature 298.0K |
