3N78
SgrAI bound to Secondary Site DNA and Mg(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 108.794, 133.002, 64.623 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.349 - 2.950 |
| R-factor | 0.1938 |
| Rwork | 0.189 |
| R-free | 0.28150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.347 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.210 | 3.030 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.114 | 0.392 |
| Number of reflections | 19842 | |
| <I/σ(I)> | 6.6 | 2 |
| Completeness [%] | 97.3 | 96.2 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 25 to 21% PEG 4K, 0.1 M HEPES buffer, 0.15-0.20 M NaCl, 0.05 M MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4K | ||
| 2 | 1 | 1 | HEPES | ||
| 3 | 1 | 1 | NaCl | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 2 | PEG 4K | ||
| 6 | 1 | 2 | HEPES | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | MgCl2 |
