4YNP
ASH1L SET domain S2259M mutant in complex with S-adenosyl methionine (SAM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 59.262, 59.262, 233.924 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.000 - 2.900 |
| R-factor | 0.2645 |
| Rwork | 0.262 |
| R-free | 0.31940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ynm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.973 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.088 | 0.041 | 0.393 |
| Rmeas | 0.094 | 0.043 | 0.417 |
| Rpim | 0.032 | 0.014 | 0.135 |
| Total number of observations | 83961 | ||
| Number of reflections | 10910 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 96.1 | 99.1 | 96 |
| Redundancy | 7.7 | 8.8 | 7.4 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, 20 mM Tris |
