4QEO
crystal structure of KRYPTONITE in complex with mCHH DNA, H3(1-15) peptide and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.460, 96.765, 122.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.098 - 2.000 |
| R-factor | 0.1883 |
| Rwork | 0.186 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qen |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.367 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.769 |
| Number of reflections | 45280 | |
| <I/σ(I)> | 36.1 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 30% PEG200, 5% PEG3000, and 0.1 M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
