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 |