5MKQ
TtuA enzyme containing a [4Fe-4S]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-03-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.7389 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.450, 72.190, 127.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.880 - 2.790 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vrh |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.116 | 3.090 |
Number of reflections | 13039 | |
<I/σ(I)> | 15.1 | 1 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 18.6 | 19.8 |
CC(1/2) | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | Bicine 0.1 M pH9, NaCl 0.2M, DMF 2.5%, PEG 3350 12% |