1N2C
NITROGENASE COMPLEX FROM AZOTOBACTER VINELANDII STABILIZED BY ADP-TETRAFLUOROALUMINATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-04 |
| Detector | RIGAKU |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.000, 299.700, 334.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1MIN |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.120 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.098 * | 0.245 * |
| Total number of observations | 104037 * | |
| Number of reflections | 57735 | |
| <I/σ(I)> | 9.8 | 2 |
| Completeness [%] | 73.8 | 28.8 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.5 | 16-20% PEG 8000, 0.1 M CACODYLATE PH 6.5 AND 20-50 MM MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG8000 | 16-20 (%) | |
| 2 | 1 | 1 | cacodylate | 0.1 (M) | |
| 3 | 1 | 1 | 20-50 (mM) |
