4HU9
E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-18 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.270, 48.760, 31.570 |
Unit cell angles | 90.00, 101.94, 90.00 |
Refinement procedure
Resolution | 43.181 - 1.550 |
R-factor | 0.1748 |
Rwork | 0.173 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.180 |
High resolution limit [Å] | 1.550 |
Rmerge | 0.192 |
Number of reflections | 19020 |
<I/σ(I)> | 6.92 |
Completeness [%] | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277.15 | 20 mM acetic acid-NaOH, 2 mM CuCl2, 30 % (v/v) MPD, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |