7SLX
Vanin-1 complexed with Compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2015-01-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.550, 111.830, 147.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.630 - 2.350 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.140 | 2.620 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.048 | 0.518 |
Rmeas | 0.052 | 0.566 |
Rpim | 0.021 | 0.224 |
Total number of observations | 138910 | 39698 |
Number of reflections | 22429 | 6246 |
<I/σ(I)> | 22.8 | 3.4 |
Completeness [%] | 98.5 | 97.8 |
Redundancy | 6.2 | 6.4 |
CC(1/2) | 0.999 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM MES pH 6.1-6.7, 22-33% PEG-MME-2000, 10 mM TCEP |