3PKJ
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-04-29 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.042, 135.780, 89.105 |
| Unit cell angles | 90.00, 120.02, 90.00 |
Refinement procedure
| Resolution | 20.500 - 2.120 |
| R-factor | 0.2356 |
| Rwork | 0.234 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k35 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.118 | 0.934 |
| Number of reflections | 100089 | |
| <I/σ(I)> | 15.9 | 2.02 |
| Completeness [%] | 96.2 | 97.5 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 297 | 2M NH4SO4, 2%PEG400, 0.1M BIS-TRIS PH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
