5TTF
Crystal structure of catalytic domain of G9a with MS012
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.846, 67.749, 77.845 |
| Unit cell angles | 92.09, 90.05, 91.80 |
Refinement procedure
| Resolution | 50.010 - 1.720 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k5k |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.488 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 4.670 | 1.720 |
| Rmerge | 0.075 | 0.050 | 0.550 |
| Rmeas | 0.090 | ||
| Rpim | 0.049 | ||
| Total number of observations | 372722 | ||
| Number of reflections | 119007 | ||
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 96.4 | 97.3 | 83.5 |
| Redundancy | 3.1 | 3.1 | 2.5 |
| CC(1/2) | 0.996 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris pH6.5 |
