6SM7
Crystal structure of SLA Reductase YihU from E. Coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9772 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.447, 113.784, 143.229 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.810 - 1.880 |
R-factor | 0.1816 |
Rwork | 0.180 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gf2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.470 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.1) |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.890 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.064 | 0.848 |
Rmeas | 0.068 | 0.906 |
Rpim | 0.024 | 0.315 |
Total number of observations | 781985 | |
Number of reflections | 96966 | 4763 |
<I/σ(I)> | 17.7 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | 8.1 |
CC(1/2) | 0.998 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium Malonate dibasic, Imidazole, Boric acid (MIB) buffer, 25% w/v PEG 1500 |