7Q0O
E. coli NfsA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.904, 52.571, 65.551 |
| Unit cell angles | 90.00, 134.27, 90.00 |
Refinement procedure
| Resolution | 41.280 - 0.960 |
| R-factor | 0.1132 |
| Rwork | 0.112 |
| R-free | 0.12910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f5v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.789 |
| 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] | 41.280 | 0.994 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.022 | 0.225 |
| Rmeas | 0.031 | 0.318 |
| Rpim | 0.022 | 0.225 |
| Number of reflections | 132860 | 10998 |
| <I/σ(I)> | 16.71 | 2.12 |
| Completeness [%] | 96.3 | 79.86 |
| Redundancy | 1.8 | 1.4 |
| CC(1/2) | 0.997 | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 291 | 100 mM imidazole, pH 7.6, 20% PEG 6000, 200 mM Magnesium formate |
