7SLY
Vanin-1 complexed with Compound 27
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2015-05-22 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.980, 110.973, 147.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.380 - 2.170 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
| High resolution limit [Å] | 2.170 | 4.670 | 2.170 |
| Rmerge | 0.078 | 0.052 | 0.780 |
| Total number of observations | 173822 | ||
| Number of reflections | 28458 | 3000 | 2638 |
| <I/σ(I)> | 12 | ||
| Completeness [%] | 98.9 | 98.9 | 93.4 |
| Redundancy | 6.1 | 6 | 5.5 |
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 |
