8QPO
E. coli NfsB with the unnatural amino acid p-nitrophenylalanine at position 124.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.231, 138.552, 121.609 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 29.710 - 2.740 |
| R-factor | 0.17169 |
| Rwork | 0.170 |
| R-free | 0.20078 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.710 | 2.812 |
| High resolution limit [Å] | 2.740 | 2.741 |
| Number of reflections | 47766 | 3160 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 98.2 | 88.8 |
| Redundancy | 3.72 | 3.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 100 mM sodium acetate, pH 4.6, 15% ethylene glycol |
