4YPE
ASH1L SET domain H2193F 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 | 2014-06-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 58.838, 58.838, 232.152 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.560 - 2.200 |
| R-factor | 0.2188 |
| Rwork | 0.216 |
| R-free | 0.26250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ynm |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.940 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.073 | 0.053 | 0.385 |
| Rmeas | 0.080 | 0.056 | 0.416 |
| Rpim | 0.032 | 0.020 | 0.150 |
| Total number of observations | 112070 | ||
| Number of reflections | 21349 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 86.1 | 99.4 | 79.5 |
| Redundancy | 5.2 | 7.4 | 5.7 |
| CC(1/2) | 0.997 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, 20 mM Tris |
