7XUC
Structure of G9a in complex with compound 11a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-24 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.572, 77.620, 66.573 |
| Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
| Resolution | 17.550 - 1.670 |
| R-factor | 0.1599 |
| Rwork | 0.159 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xua |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.841 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmeas | 0.070 | 0.472 |
| Rpim | 0.038 | 0.311 |
| Number of reflections | 65265 | 3021 |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 97.9 | 91.6 |
| Redundancy | 2.7 | 1.9 |
| CC(1/2) | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis-Tris propane (pH7.5), 0.2M Sodium Fluoride, 10% Ethylene Glycol, 25% PEG3350 |
