5F5E
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 54.574, 54.574, 104.656 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.068 - 1.802 |
| R-factor | 0.2035 |
| Rwork | 0.202 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w5y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.105 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.090 | 0.072 | 0.421 |
| Rmeas | 0.096 | 0.076 | 0.444 |
| Rpim | 0.031 | 0.025 | 0.139 |
| Total number of observations | 166463 | ||
| Number of reflections | 17325 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 9.6 | 8.8 | 9.9 |
| CC(1/2) | 0.996 | 0.946 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 35% Tacsimate, pH 7.0 |
