3LJA
Using Soft X-Rays for a Detailed Picture of Divalent Metal Binding in the Nucleosome
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.89 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.348, 109.785, 182.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.190 - 2.750 |
| R-factor | 0.22324 |
| Rwork | 0.223 |
| R-free | 0.25904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kx5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.475 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.500 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.085 | 0.425 |
| Number of reflections | 53707 | |
| <I/σ(I)> | 21.2 | 3.6 |
| Completeness [%] | 95.8 | 89.5 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 85 mM MnCl2, 60 mM KCl, 20 mM K-Cacodylate, 4 mg/ml NCP over well with 1/2 conc., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K, EVAPORATION |
