4YNM
ASH1L wild-type SET domain in complex with S-adenosyl methionine (SAM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 123 |
| Detector technology | CCD |
| Collection date | 2012-12-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 59.141, 59.141, 230.983 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.820 - 2.190 |
| R-factor | 0.2438 |
| Rwork | 0.242 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ope |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.769 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| 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] | 2.190 | 5.970 | 2.190 |
| Rmerge | 0.095 | 0.052 | 0.590 |
| Rmeas | 0.101 | 0.055 | 0.626 |
| Rpim | 0.033 | 0.018 | 0.204 |
| Total number of observations | 228388 | ||
| Number of reflections | 25099 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 9.1 | 9.4 | 9.1 |
| CC(1/2) | 0.998 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, 20 mM Tris |
