6CHE
Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 22.965, 37.048, 28.719 |
Unit cell angles | 90.00, 110.16, 90.00 |
Refinement procedure
Resolution | 26.959 - 1.100 |
R-factor | 0.1309 |
Rwork | 0.129 |
R-free | 0.14710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qmt |
RMSD bond length | 0.007 |
RMSD bond angle | 0.938 |
Data reduction software | XDS |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.960 | 1.139 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.029 | 0.054 |
Rmeas | 0.041 | 0.077 |
Rpim | 0.029 | 0.054 |
Number of reflections | 18407 | 1792 |
<I/σ(I)> | 11.55 | |
Completeness [%] | 99.8 | 98.79 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 283.15 | 49% MPD 20% IPA 25 mM sodium acetate pH 4.9 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 and 2 mM TCEP |