4JDS
SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-25 |
| Detector | Marmosaic CCD300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.048, 134.482, 137.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.1988 |
| Rwork | 0.199 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.108 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.089 | 0.064 | 0.635 |
| Number of reflections | 119046 | ||
| <I/σ(I)> | 26.3 | ||
| Completeness [%] | 99.7 | 98.1 | 99.4 |
| Redundancy | 7.4 | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 25% PEG 3350, 0.1 M Ammonium Sulfate, 0.1 M BisTris pH6.5, vapor diffusion hanging drop, temperature 291K |
