4H29
B-raf dimer DNA quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 33.460, 47.680, 137.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.440 - 1.991 |
| R-factor | 0.21412 |
| Rwork | 0.213 |
| R-free | 0.24167 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.440 | 25.440 | 2.040 |
| High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
| Rmerge | 0.074 | 0.048 | 0.641 |
| Number of reflections | 7754 | ||
| <I/σ(I)> | 20.7 | 1.8 | |
| Redundancy | 4 | 3.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% MPD, 10 mM magnesium chloride, 100 mM sodium chloride, 50 mM sodium cacodylate at pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
