7NNX
E. coli NfsA with 1,4-benzoquinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-11 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.767, 51.963, 64.686 |
| Unit cell angles | 90.00, 133.92, 90.00 |
Refinement procedure
| Resolution | 46.590 - 1.700 |
| R-factor | 0.1423 |
| Rwork | 0.141 |
| R-free | 0.16990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f5v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.590 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 23824 | 3102 |
| <I/σ(I)> | 24.8 | 4.6 |
| Completeness [%] | 98.2 | 88.7 |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 18% PEG 3000, 100 mM Imidazole pH 7.0, 20% DMSO, 10 mM 1,4 Benzoquinone |
