7NMP
E. coli NfsA with hydroquinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-11 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.985, 52.022, 64.770 |
| Unit cell angles | 90.00, 134.16, 90.00 |
Refinement procedure
| Resolution | 46.030 - 1.250 |
| R-factor | 0.1248 |
| Rwork | 0.123 |
| R-free | 0.15490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f5v |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.496 |
| 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] | 46.460 | 1.350 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 59285 | 25991 |
| <I/σ(I)> | 19.2 | 2.4 |
| Completeness [%] | 97.6 | 84.9 |
| Redundancy | 6.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 28% PEG 3,000; 100 mM imidazole pH 7.0; 20% DMSO,25 mM hydroxyquinone |
