4YPU
ASH1L SET domain K2264L mutant in complex with S-adenosyl methionine (SAM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 59.108, 59.108, 226.043 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.350 - 2.600 |
| R-factor | 0.2412 |
| Rwork | 0.238 |
| R-free | 0.30530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ynm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.479 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.088 | 0.059 | 0.483 |
| Rmeas | 0.093 | 0.064 | 0.510 |
| Rpim | 0.030 | 0.022 | 0.160 |
| Total number of observations | 135638 | ||
| Number of reflections | 14871 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 99.4 | 99.1 | 98.2 |
| Redundancy | 9.1 | 8 | 9 |
| CC(1/2) | 0.997 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, 20 mm Tris |
