4JLG
SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.742, 57.984, 64.932 |
| Unit cell angles | 83.33, 71.42, 70.93 |
Refinement procedure
| Resolution | 30.750 - 1.896 |
| R-factor | 0.2121 |
| Rwork | 0.211 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.097 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.896 | 5.160 | 1.896 |
| Rmerge | 0.061 | 0.043 | 0.224 |
| Number of reflections | 45882 | ||
| <I/σ(I)> | 38.2 | ||
| Completeness [%] | 95.3 | 98.6 | 80.6 |
| Redundancy | 5.6 | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 23% PEG 3500, 0.2 M Lithium Sulfate, 0.1 M BisTris pH 6.5, vapor diffusion hanging drop, temperature 291K |
