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 |