6CNE
Selenomethionine variant (V29SeM) of protein GB1
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 | 2018-02-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.844, 36.430, 48.963 |
Unit cell angles | 90.00, 99.27, 90.00 |
Refinement procedure
Resolution | 25.740 - 1.200 |
R-factor | 0.1697 |
Rwork | 0.169 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qmt |
RMSD bond length | 0.010 |
RMSD bond angle | 1.195 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.740 | 1.243 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.052 | 0.471 |
Rmeas | 0.074 | 0.667 |
Rpim | 0.052 | 0.471 |
Number of reflections | 29585 | 2844 |
<I/σ(I)> | 16.85 | 5.61 |
Completeness [%] | 96.7 | 94.28 |
Redundancy | 2 | 2 |
CC(1/2) | 0.992 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 283.15 | 47% MPD 20% IPA 25 mM sodium acetate pH 4.9 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 Non-reducing conditions (no TCEP) |