8QES
E coli NfsB with the unnatural amino acid, p-aminoPhe 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) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.450, 57.960, 116.490 |
| Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
| Resolution | 53.810 - 2.480 |
| R-factor | 0.16442 |
| Rwork | 0.161 |
| R-free | 0.20989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.886 |
| Data reduction software | iMOSFLM |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.810 | 2.548 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Number of reflections | 32949 | 2264 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 3.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 100 mM Sodium acetate, pH 4.6, 15 mM nicotinic acid, 15% Ethylene glycol |
