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) |