3PSL
Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3 based peptide mimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.023 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.947, 48.614, 63.308 |
| Unit cell angles | 98.79, 90.95, 117.48 |
Refinement procedure
| Resolution | 35.640 - 1.700 |
| R-factor | 0.15747 |
| Rwork | 0.155 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h14 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.945 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 50439 | |
| <I/σ(I)> | 20.6 | 2.4 |
| Completeness [%] | 97.0 | 93.8 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 50 mM NaAcetate, 100 mM NH4 SO4 , and 20% PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
